REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3dor_1_A DATA FIRST_RESID 33 DATA SEQUENCE SLVCKNALQD LSFLEHLLQV KYAPKTWKEQ YLGWDLVQSS VSAQQKLRTQ DATA SEQUENCE ENPSTSFCQQ VLADFIGGLN DFHAGVTFFA IESAYLPYTV QKSSDGRFYF DATA SEQUENCE VDIMTFSSEI RVGDELLEVD GAPVQDVLAT LYGSNHKGTA AEESAALRTL DATA SEQUENCE FSRMASLGHK VPSGRTTLKI RRPFGTTREV RVKWRYVPEG VGDLATIAPS DATA SEQUENCE IRAPQLXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XGYNIGSTDG FLPVIGPVIW ESEGLFRAYI SSVTDGDGKS HKVGFLRIPT DATA SEQUENCE YSWQDMEDFD PSGPPPWEEF AKIIQVFSSN TEALIIDQTN NPGGSVLYLY DATA SEQUENCE ALLSMLTDRP LELPKHRMIL TQDEVVDALD WLTLLENVDT NVESRLALGD DATA SEQUENCE NMEGYTVDLQ VAEYLKSFGR QVLNCWSKGD IELSTPIPLF GFEKIHPHPR DATA SEQUENCE VQYSKPICVL INEQDFSCAD FFPVVLKDND RALIVGTRTA GAGGFVFNVQ DATA SEQUENCE FPNRTGIKTC SLTGSLAVRE HGAFIENIGV EPHIDLPFTA NDIRYKGYSE DATA SEQUENCE YLDKVKKLVC QLINNDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 33 S HA 0.000 nan 4.470 nan 0.000 0.327 33 S C 0.000 174.611 174.600 0.018 0.000 1.055 33 S CA 0.000 58.206 58.200 0.011 0.000 1.107 33 S CB 0.000 63.206 63.200 0.010 0.000 0.593 34 L N 6.174 127.407 121.223 0.017 0.000 2.013 34 L HA 0.004 4.343 4.340 -0.001 0.000 0.212 34 L C 2.129 179.017 176.870 0.031 0.000 1.073 34 L CA 2.547 57.400 54.840 0.021 0.000 0.753 34 L CB -0.776 41.293 42.059 0.017 0.000 0.890 34 L HN 0.706 nan 8.230 nan 0.000 0.432 35 V N -1.208 118.726 119.914 0.033 0.000 2.295 35 V HA -0.363 3.756 4.120 -0.001 0.000 0.246 35 V C 2.773 178.902 176.094 0.057 0.000 1.049 35 V CA 1.844 64.171 62.300 0.046 0.000 1.024 35 V CB -0.845 31.007 31.823 0.048 0.000 0.648 35 V HN 0.798 nan 8.190 nan 0.000 0.447 36 C N 0.638 119.969 119.300 0.053 0.000 2.413 36 C HA -0.205 4.254 4.460 -0.001 0.000 0.276 36 C C 2.868 177.889 174.990 0.051 0.000 1.236 36 C CA 1.657 60.710 59.018 0.059 0.000 1.735 36 C CB -1.085 26.682 27.740 0.045 0.000 2.031 36 C HN 0.594 nan 8.230 nan 0.000 0.474 37 K N 0.360 120.784 120.400 0.041 0.000 2.057 37 K HA -0.120 4.200 4.320 -0.001 0.000 0.207 37 K C 1.920 178.549 176.600 0.047 0.000 1.049 37 K CA 1.617 57.926 56.287 0.037 0.000 0.931 37 K CB -0.431 32.086 32.500 0.029 0.000 0.714 37 K HN 0.581 nan 8.250 nan 0.000 0.440 38 N N 0.982 119.715 118.700 0.054 0.000 2.142 38 N HA -0.104 4.635 4.740 -0.001 0.000 0.186 38 N C 1.886 177.449 175.510 0.090 0.000 1.023 38 N CA 1.211 54.303 53.050 0.069 0.000 0.852 38 N CB -0.097 38.430 38.487 0.066 0.000 0.998 38 N HN 0.195 nan 8.380 nan 0.000 0.424 39 A N 1.539 124.409 122.820 0.083 0.000 1.902 39 A HA -0.068 4.251 4.320 -0.001 0.000 0.217 39 A C 2.396 180.024 177.584 0.073 0.000 1.181 39 A CA 0.904 52.994 52.037 0.089 0.000 0.623 39 A CB -0.706 18.341 19.000 0.079 0.000 0.818 39 A HN 0.177 nan 8.150 nan 0.000 0.443 40 L N -1.093 120.162 121.223 0.054 0.000 2.046 40 L HA -0.211 4.129 4.340 -0.001 0.000 0.208 40 L C 2.948 179.847 176.870 0.048 0.000 1.077 40 L CA 1.393 56.252 54.840 0.032 0.000 0.747 40 L CB -0.477 41.598 42.059 0.026 0.000 0.896 40 L HN 0.402 nan 8.230 nan 0.000 0.432 41 Q N 0.302 120.142 119.800 0.066 0.000 2.030 41 Q HA -0.235 4.104 4.340 -0.001 0.000 0.204 41 Q C 1.841 177.919 176.000 0.130 0.000 0.986 41 Q CA 1.937 57.789 55.803 0.080 0.000 0.843 41 Q CB -0.291 28.490 28.738 0.072 0.000 0.904 41 Q HN 0.488 nan 8.270 nan 0.000 0.420 42 D N 0.392 120.896 120.400 0.174 0.000 2.178 42 D HA -0.152 4.487 4.640 -0.001 0.000 0.201 42 D C 1.858 178.310 176.300 0.253 0.000 0.980 42 D CA 0.343 54.515 54.000 0.287 0.000 0.842 42 D CB -0.201 40.812 40.800 0.354 0.000 0.948 42 D HN 0.199 nan 8.370 nan 0.000 0.472 43 L N 1.527 122.828 121.223 0.129 0.000 2.017 43 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 43 L C 2.246 179.122 176.870 0.010 0.000 1.073 43 L CA 2.049 56.895 54.840 0.011 0.000 0.745 43 L CB -1.023 40.970 42.059 -0.110 0.000 0.894 43 L HN 0.044 nan 8.230 nan 0.000 0.432 44 S N -0.723 115.004 115.700 0.046 0.000 2.419 44 S HA -0.250 4.220 4.470 -0.001 0.000 0.233 44 S C 1.998 176.678 174.600 0.133 0.000 1.016 44 S CA 1.182 59.420 58.200 0.063 0.000 0.974 44 S CB -1.037 62.200 63.200 0.061 0.000 0.786 44 S HN 0.503 nan 8.310 nan 0.000 0.492 45 F N 2.357 122.308 119.950 0.001 0.000 2.128 45 F HA 0.231 4.757 4.527 -0.001 0.000 0.295 45 F C 1.921 177.731 175.800 0.016 0.000 1.100 45 F CA 0.821 58.798 58.000 -0.039 0.000 1.260 45 F CB -0.476 38.394 39.000 -0.218 0.000 1.009 45 F HN 0.131 nan 8.300 nan 0.000 0.476 46 L N 0.207 121.437 121.223 0.011 0.000 2.042 46 L HA -0.237 4.102 4.340 -0.001 0.000 0.210 46 L C 2.511 179.414 176.870 0.054 0.000 1.076 46 L CA 1.993 56.834 54.840 0.002 0.000 0.749 46 L CB -0.879 41.321 42.059 0.235 0.000 0.893 46 L HN 0.270 nan 8.230 nan 0.000 0.432 47 E N -0.522 119.755 120.200 0.128 0.000 2.110 47 E HA -0.296 4.053 4.350 -0.001 0.000 0.193 47 E C 2.216 178.873 176.600 0.095 0.000 0.988 47 E CA 1.164 57.672 56.400 0.179 0.000 0.804 47 E CB -0.089 29.681 29.700 0.117 0.000 0.745 47 E HN 0.534 nan 8.360 nan 0.000 0.458 48 H N 0.569 119.603 119.070 -0.060 0.000 2.389 48 H HA -0.064 4.491 4.556 -0.001 0.000 0.299 48 H C 2.154 177.415 175.328 -0.113 0.000 1.081 48 H CA 1.149 57.150 56.048 -0.077 0.000 1.345 48 H CB 0.068 29.773 29.762 -0.096 0.000 1.393 48 H HN 0.232 nan 8.280 nan 0.000 0.520 49 L N 0.579 121.596 121.223 -0.345 0.000 2.083 49 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 49 L C 2.798 179.592 176.870 -0.126 0.000 1.083 49 L CA 0.639 55.294 54.840 -0.308 0.000 0.752 49 L CB -0.366 41.510 42.059 -0.305 0.000 0.899 49 L HN 0.272 nan 8.230 nan 0.000 0.433 50 L N -0.719 120.465 121.223 -0.066 0.000 2.191 50 L HA -0.224 4.115 4.340 -0.001 0.000 0.212 50 L C 2.459 179.387 176.870 0.096 0.000 1.103 50 L CA 1.234 56.087 54.840 0.021 0.000 0.769 50 L CB -0.386 41.697 42.059 0.040 0.000 0.908 50 L HN 0.397 nan 8.230 nan 0.000 0.438 51 Q N -0.835 118.966 119.800 0.002 0.000 2.354 51 Q HA -0.064 4.276 4.340 -0.001 0.000 0.203 51 Q C 2.004 177.978 176.000 -0.043 0.000 0.933 51 Q CA 1.081 56.889 55.803 0.009 0.000 0.901 51 Q CB 0.471 29.211 28.738 0.003 0.000 1.007 51 Q HN 0.576 nan 8.270 nan 0.000 0.495 52 V N -3.841 115.982 119.914 -0.152 0.000 3.621 52 V HA 0.280 4.399 4.120 -0.001 0.000 0.263 52 V C 0.934 177.016 176.094 -0.020 0.000 1.272 52 V CA 0.247 62.481 62.300 -0.109 0.000 1.080 52 V CB 0.617 32.304 31.823 -0.226 0.000 0.816 52 V HN -0.063 nan 8.190 nan 0.000 0.451 53 K N -0.002 120.418 120.400 0.033 0.000 2.761 53 K HA 0.330 4.649 4.320 -0.001 0.000 0.196 53 K C -1.341 175.427 176.600 0.280 0.000 1.134 53 K CA -0.208 56.149 56.287 0.117 0.000 1.082 53 K CB 0.912 33.486 32.500 0.124 0.000 0.768 53 K HN 0.549 nan 8.250 nan 0.000 0.475 54 Y N 0.757 121.091 120.300 0.055 0.000 2.555 54 Y HA 0.369 4.918 4.550 -0.001 0.000 0.326 54 Y C 1.024 176.923 175.900 -0.002 0.000 0.984 54 Y CA -0.716 57.398 58.100 0.023 0.000 1.298 54 Y CB 0.804 39.244 38.460 -0.033 0.000 1.094 54 Y HN 0.141 nan 8.280 nan 0.000 0.500 55 A N 6.558 129.189 122.820 -0.315 0.000 1.883 55 A HA -0.076 4.243 4.320 -0.001 0.000 0.217 55 A C -0.695 176.673 177.584 -0.360 0.000 1.186 55 A CA 1.463 53.336 52.037 -0.273 0.000 0.624 55 A CB -1.458 17.402 19.000 -0.232 0.000 0.822 55 A HN 0.662 nan 8.150 nan 0.000 0.444 56 P HA -0.004 nan 4.420 nan 0.000 0.252 56 P C 0.838 178.033 177.300 -0.174 0.000 1.265 56 P CA 0.562 63.397 63.100 -0.442 0.000 0.775 56 P CB -0.044 31.365 31.700 -0.485 0.000 1.128 57 K N 0.816 121.175 120.400 -0.068 0.000 2.020 57 K HA -0.140 4.180 4.320 -0.001 0.000 0.212 57 K C 1.632 178.367 176.600 0.224 0.000 1.050 57 K CA 2.211 58.650 56.287 0.253 0.000 0.929 57 K CB -0.534 32.159 32.500 0.321 0.000 0.714 57 K HN 0.034 nan 8.250 nan 0.000 0.443 58 T N 0.546 115.182 114.554 0.136 0.000 2.746 58 T HA -0.196 4.154 4.350 -0.001 0.000 0.267 58 T C 1.252 176.028 174.700 0.128 0.000 1.039 58 T CA 1.290 63.465 62.100 0.124 0.000 1.142 58 T CB -0.419 68.497 68.868 0.079 0.000 0.866 58 T HN 0.493 nan 8.240 nan 0.000 0.444 59 W N 2.506 123.730 121.300 -0.127 0.000 2.355 59 W HA -0.161 4.498 4.660 -0.001 0.000 0.309 59 W C 1.619 178.135 176.519 -0.006 0.000 1.206 59 W CA 0.993 58.234 57.345 -0.173 0.000 1.284 59 W CB -0.137 29.092 29.460 -0.385 0.000 1.145 59 W HN 0.087 nan 8.180 nan 0.000 0.502 60 K N 0.914 121.316 120.400 0.004 0.000 2.147 60 K HA -0.179 4.140 4.320 -0.001 0.000 0.205 60 K C 1.645 178.300 176.600 0.090 0.000 1.049 60 K CA 1.794 58.053 56.287 -0.046 0.000 0.936 60 K CB -0.665 31.766 32.500 -0.115 0.000 0.722 60 K HN 0.464 nan 8.250 nan 0.000 0.446 61 E N 0.781 121.093 120.200 0.187 0.000 2.072 61 E HA -0.178 4.172 4.350 -0.001 0.000 0.191 61 E C 2.220 178.833 176.600 0.022 0.000 0.985 61 E CA 1.055 57.564 56.400 0.182 0.000 0.801 61 E CB 0.000 29.801 29.700 0.167 0.000 0.750 61 E HN 0.390 nan 8.360 nan 0.000 0.452 62 Q N -0.384 119.380 119.800 -0.060 0.000 2.061 62 Q HA -0.103 4.236 4.340 -0.001 0.000 0.195 62 Q C 1.990 177.842 176.000 -0.247 0.000 0.967 62 Q CA 0.872 56.602 55.803 -0.122 0.000 0.829 62 Q CB -0.152 28.537 28.738 -0.082 0.000 0.900 62 Q HN 0.290 nan 8.270 nan 0.000 0.450 63 Y N 0.676 120.592 120.300 -0.638 0.000 2.224 63 Y HA -0.155 4.394 4.550 -0.001 0.000 0.289 63 Y C 1.416 177.075 175.900 -0.401 0.000 1.146 63 Y CA 1.361 59.007 58.100 -0.757 0.000 1.182 63 Y CB 0.240 37.773 38.460 -1.545 0.000 0.983 63 Y HN -0.001 nan 8.280 nan 0.000 0.524 64 L N -1.393 119.663 121.223 -0.278 0.000 2.731 64 L HA 0.340 4.679 4.340 -0.001 0.000 0.240 64 L C 1.576 178.397 176.870 -0.081 0.000 1.120 64 L CA 0.496 55.218 54.840 -0.197 0.000 0.913 64 L CB 0.353 42.400 42.059 -0.020 0.000 1.213 64 L HN 0.276 nan 8.230 nan 0.000 0.515 65 G N -0.046 108.723 108.800 -0.051 0.000 2.160 65 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.251 65 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.251 65 G C -0.100 174.835 174.900 0.059 0.000 1.008 65 G CA 0.121 45.211 45.100 -0.017 0.000 0.724 65 G HN 0.363 nan 8.290 nan 0.000 0.514 66 W N 0.987 122.239 121.300 -0.079 0.000 2.218 66 W HA 0.561 5.220 4.660 -0.001 0.000 0.326 66 W C -0.066 176.434 176.519 -0.032 0.000 1.276 66 W CA -0.030 57.284 57.345 -0.053 0.000 1.210 66 W CB 0.831 30.257 29.460 -0.057 0.000 1.143 66 W HN 0.196 nan 8.180 nan 0.000 0.563 67 D N 4.867 124.740 120.400 -0.878 0.000 2.757 67 D HA 0.093 4.732 4.640 -0.001 0.000 0.249 67 D C 0.415 175.907 176.300 -1.348 0.000 1.168 67 D CA -0.628 52.846 54.000 -0.876 0.000 0.870 67 D CB 1.522 42.078 40.800 -0.406 0.000 1.411 67 D HN 0.337 nan 8.370 nan 0.000 0.525 68 L N 4.326 124.760 121.223 -1.315 0.000 1.989 68 L HA -0.063 4.276 4.340 -0.001 0.000 0.211 68 L C 1.606 178.312 176.870 -0.274 0.000 1.071 68 L CA 1.786 56.154 54.840 -0.786 0.000 0.749 68 L CB -0.512 41.382 42.059 -0.275 0.000 0.890 68 L HN 0.543 nan 8.230 nan 0.000 0.431 69 V N -0.647 119.138 119.914 -0.214 0.000 2.407 69 V HA -0.316 3.803 4.120 -0.001 0.000 0.248 69 V C 2.584 178.614 176.094 -0.107 0.000 1.055 69 V CA 1.814 64.049 62.300 -0.108 0.000 1.049 69 V CB -0.621 31.150 31.823 -0.087 0.000 0.662 69 V HN 0.543 nan 8.190 nan 0.000 0.455 70 Q N 0.324 120.021 119.800 -0.172 0.000 1.975 70 Q HA -0.186 4.153 4.340 -0.001 0.000 0.205 70 Q C 2.498 178.456 176.000 -0.069 0.000 0.990 70 Q CA 2.534 58.258 55.803 -0.131 0.000 0.845 70 Q CB -0.352 28.275 28.738 -0.185 0.000 0.913 70 Q HN 0.639 nan 8.270 nan 0.000 0.420 71 S N -0.270 115.385 115.700 -0.075 0.000 2.370 71 S HA -0.224 4.245 4.470 -0.001 0.000 0.226 71 S C 1.981 176.707 174.600 0.209 0.000 1.033 71 S CA 1.164 59.454 58.200 0.150 0.000 1.011 71 S CB -0.692 62.694 63.200 0.310 0.000 0.852 71 S HN 0.447 nan 8.310 nan 0.000 0.457 72 S N 1.049 116.843 115.700 0.156 0.000 2.359 72 S HA -0.137 4.332 4.470 -0.001 0.000 0.222 72 S C 1.974 176.516 174.600 -0.097 0.000 1.038 72 S CA 1.694 59.843 58.200 -0.085 0.000 1.051 72 S CB -0.621 62.554 63.200 -0.041 0.000 0.944 72 S HN 0.306 nan 8.310 nan 0.000 0.433 73 V N 1.313 121.199 119.914 -0.046 0.000 2.282 73 V HA -0.164 3.956 4.120 -0.001 0.000 0.249 73 V C 2.768 178.850 176.094 -0.021 0.000 1.057 73 V CA 2.292 64.571 62.300 -0.035 0.000 1.032 73 V CB -1.298 30.509 31.823 -0.028 0.000 0.645 73 V HN 0.662 nan 8.190 nan 0.000 0.447 74 S N -0.276 115.424 115.700 -0.001 0.000 2.359 74 S HA -0.242 4.228 4.470 -0.001 0.000 0.224 74 S C 2.103 176.717 174.600 0.025 0.000 1.035 74 S CA 1.862 60.077 58.200 0.024 0.000 1.018 74 S CB -0.389 62.841 63.200 0.049 0.000 0.876 74 S HN 0.646 nan 8.310 nan 0.000 0.448 75 A N 0.656 123.477 122.820 0.002 0.000 1.930 75 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 75 A C 2.116 179.673 177.584 -0.045 0.000 1.175 75 A CA 1.531 53.547 52.037 -0.034 0.000 0.627 75 A CB -0.740 18.159 19.000 -0.169 0.000 0.815 75 A HN 0.719 nan 8.150 nan 0.000 0.443 76 Q N -0.870 118.890 119.800 -0.067 0.000 2.135 76 Q HA -0.271 4.068 4.340 -0.001 0.000 0.204 76 Q C 2.296 178.301 176.000 0.008 0.000 0.981 76 Q CA 1.756 57.537 55.803 -0.037 0.000 0.856 76 Q CB -0.205 28.507 28.738 -0.044 0.000 0.902 76 Q HN 0.882 nan 8.270 nan 0.000 0.425 77 Q N 1.352 121.160 119.800 0.014 0.000 2.050 77 Q HA -0.205 4.134 4.340 -0.001 0.000 0.202 77 Q C 1.678 177.717 176.000 0.064 0.000 0.980 77 Q CA 1.545 57.367 55.803 0.031 0.000 0.840 77 Q CB 0.112 28.866 28.738 0.027 0.000 0.898 77 Q HN 0.215 nan 8.270 nan 0.000 0.424 78 K N 0.156 120.612 120.400 0.093 0.000 2.103 78 K HA -0.136 4.184 4.320 -0.001 0.000 0.207 78 K C 2.167 178.923 176.600 0.262 0.000 1.048 78 K CA 1.360 57.756 56.287 0.182 0.000 0.930 78 K CB -0.138 32.480 32.500 0.195 0.000 0.716 78 K HN 0.273 nan 8.250 nan 0.000 0.444 79 L N 0.534 121.874 121.223 0.195 0.000 2.005 79 L HA -0.158 4.182 4.340 -0.001 0.000 0.207 79 L C 2.485 179.428 176.870 0.122 0.000 1.072 79 L CA 1.354 56.321 54.840 0.212 0.000 0.744 79 L CB -0.343 41.784 42.059 0.113 0.000 0.895 79 L HN 0.135 nan 8.230 nan 0.000 0.433 80 R N -0.862 119.680 120.500 0.069 0.000 2.148 80 R HA -0.091 4.248 4.340 -0.001 0.000 0.227 80 R C 2.205 178.515 176.300 0.017 0.000 1.103 80 R CA 1.576 57.696 56.100 0.035 0.000 0.983 80 R CB -0.452 29.861 30.300 0.023 0.000 0.874 80 R HN 0.328 nan 8.270 nan 0.000 0.451 81 T N 0.537 115.105 114.554 0.023 0.000 2.857 81 T HA -0.063 4.286 4.350 -0.001 0.000 0.266 81 T C 0.868 175.537 174.700 -0.053 0.000 1.048 81 T CA 0.604 62.702 62.100 -0.004 0.000 1.139 81 T CB 0.016 68.892 68.868 0.013 0.000 0.874 81 T HN 0.077 nan 8.240 nan 0.000 0.455 82 Q N 2.131 121.873 119.800 -0.097 0.000 2.333 82 Q HA 0.046 4.385 4.340 -0.001 0.000 0.299 82 Q C -0.094 175.807 176.000 -0.165 0.000 1.067 82 Q CA 0.694 56.350 55.803 -0.245 0.000 0.943 82 Q CB 0.261 28.689 28.738 -0.517 0.000 1.233 82 Q HN 0.551 nan 8.270 nan 0.000 0.401 83 E N 2.397 122.494 120.200 -0.172 0.000 2.105 83 E HA 0.013 4.363 4.350 -0.001 0.000 0.285 83 E C -0.075 176.458 176.600 -0.111 0.000 1.055 83 E CA -0.212 56.121 56.400 -0.111 0.000 0.843 83 E CB 0.127 29.772 29.700 -0.093 0.000 1.067 83 E HN 0.609 nan 8.360 nan 0.000 0.398 84 N N 3.517 122.173 118.700 -0.074 0.000 2.667 84 N HA -0.122 4.617 4.740 -0.001 0.000 0.263 84 N C -2.220 173.246 175.510 -0.073 0.000 1.038 84 N CA -0.680 52.338 53.050 -0.054 0.000 0.749 84 N CB -0.056 38.405 38.487 -0.044 0.000 0.892 84 N HN 0.284 nan 8.380 nan 0.000 0.546 85 P HA 0.010 nan 4.420 nan 0.000 0.266 85 P C -0.078 177.236 177.300 0.024 0.000 1.195 85 P CA 0.040 63.090 63.100 -0.084 0.000 0.768 85 P CB 1.016 32.724 31.700 0.013 0.000 0.838 86 S N 1.101 116.839 115.700 0.063 0.000 2.652 86 S HA 0.190 4.659 4.470 -0.001 0.000 0.270 86 S C 1.396 176.062 174.600 0.111 0.000 1.243 86 S CA -0.328 57.917 58.200 0.075 0.000 0.999 86 S CB 0.272 63.511 63.200 0.065 0.000 0.973 86 S HN 0.455 nan 8.310 nan 0.000 0.544 87 T N 2.164 116.752 114.554 0.057 0.000 2.684 87 T HA -0.147 4.203 4.350 -0.001 0.000 0.267 87 T C 2.229 176.915 174.700 -0.024 0.000 1.036 87 T CA 2.082 64.199 62.100 0.028 0.000 1.148 87 T CB -0.895 67.981 68.868 0.013 0.000 0.863 87 T HN 0.907 nan 8.240 nan 0.000 0.436 88 S N 1.395 117.080 115.700 -0.025 0.000 2.400 88 S HA -0.134 4.335 4.470 -0.001 0.000 0.232 88 S C 1.827 176.379 174.600 -0.080 0.000 1.025 88 S CA 0.983 59.128 58.200 -0.092 0.000 0.993 88 S CB -0.929 62.247 63.200 -0.040 0.000 0.808 88 S HN 0.511 nan 8.310 nan 0.000 0.478 89 F N 2.076 121.976 119.950 -0.082 0.000 2.113 89 F HA -0.059 4.468 4.527 -0.001 0.000 0.297 89 F C 2.366 178.130 175.800 -0.060 0.000 1.103 89 F CA 0.947 58.911 58.000 -0.059 0.000 1.248 89 F CB -0.866 38.114 39.000 -0.034 0.000 0.999 89 F HN 0.285 nan 8.300 nan 0.000 0.475 90 C N 0.717 119.968 119.300 -0.082 0.000 2.425 90 C HA -0.169 4.290 4.460 -0.001 0.000 0.277 90 C C 2.681 177.545 174.990 -0.211 0.000 1.280 90 C CA 1.150 60.088 59.018 -0.133 0.000 1.744 90 C CB -1.367 26.399 27.740 0.043 0.000 1.989 90 C HN 0.560 nan 8.230 nan 0.000 0.491 91 Q N 0.421 120.044 119.800 -0.294 0.000 2.084 91 Q HA -0.248 4.092 4.340 -0.001 0.000 0.202 91 Q C 2.255 177.988 176.000 -0.445 0.000 0.978 91 Q CA 1.515 56.969 55.803 -0.581 0.000 0.844 91 Q CB -0.259 27.751 28.738 -1.214 0.000 0.898 91 Q HN 0.727 nan 8.270 nan 0.000 0.426 92 Q N -0.091 119.476 119.800 -0.388 0.000 2.084 92 Q HA -0.143 4.196 4.340 -0.001 0.000 0.202 92 Q C 2.241 178.119 176.000 -0.204 0.000 0.978 92 Q CA 1.488 57.136 55.803 -0.259 0.000 0.844 92 Q CB -0.044 28.534 28.738 -0.268 0.000 0.898 92 Q HN 0.196 nan 8.270 nan 0.000 0.426 93 V N 1.023 120.729 119.914 -0.345 0.000 2.295 93 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 93 V C 2.136 178.228 176.094 -0.003 0.000 1.049 93 V CA 1.596 63.757 62.300 -0.232 0.000 1.024 93 V CB -0.495 31.124 31.823 -0.339 0.000 0.648 93 V HN 0.366 nan 8.190 nan 0.000 0.447 94 L N -0.087 121.166 121.223 0.051 0.000 2.093 94 L HA -0.095 4.244 4.340 -0.001 0.000 0.208 94 L C 2.736 179.779 176.870 0.289 0.000 1.085 94 L CA 1.372 56.341 54.840 0.215 0.000 0.755 94 L CB -0.843 41.372 42.059 0.260 0.000 0.904 94 L HN 0.360 nan 8.230 nan 0.000 0.435 95 A N 0.107 123.090 122.820 0.272 0.000 1.902 95 A HA -0.220 4.099 4.320 -0.001 0.000 0.217 95 A C 1.908 179.579 177.584 0.145 0.000 1.181 95 A CA 1.933 54.120 52.037 0.249 0.000 0.623 95 A CB -0.442 18.729 19.000 0.286 0.000 0.818 95 A HN 0.356 nan 8.150 nan 0.000 0.443 96 D N -1.121 119.353 120.400 0.123 0.000 2.144 96 D HA -0.106 4.534 4.640 -0.001 0.000 0.200 96 D C 1.594 177.975 176.300 0.136 0.000 0.978 96 D CA 1.068 55.130 54.000 0.102 0.000 0.833 96 D CB -0.464 40.381 40.800 0.075 0.000 0.961 96 D HN 0.456 nan 8.370 nan 0.000 0.470 97 F N 1.908 121.882 119.950 0.040 0.000 2.069 97 F HA -0.212 4.314 4.527 -0.001 0.000 0.298 97 F C 2.015 177.840 175.800 0.042 0.000 1.113 97 F CA 1.177 59.214 58.000 0.062 0.000 1.214 97 F CB -0.219 38.818 39.000 0.062 0.000 0.978 97 F HN -0.167 nan 8.300 nan 0.000 0.474 98 I N 0.816 121.308 120.570 -0.129 0.000 2.315 98 I HA -0.143 4.026 4.170 -0.001 0.000 0.248 98 I C 2.806 178.770 176.117 -0.255 0.000 1.117 98 I CA 1.417 62.533 61.300 -0.306 0.000 1.404 98 I CB -2.329 35.593 38.000 -0.130 0.000 1.071 98 I HN 0.323 nan 8.210 nan 0.000 0.419 99 G N 0.697 109.432 108.800 -0.109 0.000 2.448 99 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.219 99 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.219 99 G C 1.700 176.530 174.900 -0.116 0.000 1.127 99 G CA 0.759 45.811 45.100 -0.080 0.000 0.766 99 G HN 0.485 nan 8.290 nan 0.000 0.552 100 G N 0.708 109.434 108.800 -0.124 0.000 2.498 100 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.219 100 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.219 100 G C 1.597 176.338 174.900 -0.265 0.000 1.119 100 G CA 0.294 45.341 45.100 -0.087 0.000 0.766 100 G HN 0.459 nan 8.290 nan 0.000 0.552 101 L N -0.327 120.621 121.223 -0.459 0.000 2.465 101 L HA 0.066 4.406 4.340 -0.001 0.000 0.224 101 L C 1.318 177.974 176.870 -0.356 0.000 1.145 101 L CA 0.341 54.799 54.840 -0.637 0.000 0.834 101 L CB -0.545 41.090 42.059 -0.707 0.000 0.944 101 L HN 0.429 nan 8.230 nan 0.000 0.451 102 N N 0.967 119.510 118.700 -0.261 0.000 2.705 102 N HA -0.221 4.518 4.740 -0.001 0.000 0.255 102 N C -0.523 174.798 175.510 -0.315 0.000 1.008 102 N CA 0.200 53.103 53.050 -0.245 0.000 0.742 102 N CB -0.521 37.888 38.487 -0.130 0.000 0.906 102 N HN 0.269 nan 8.380 nan 0.000 0.541 103 D N 0.002 120.217 120.400 -0.308 0.000 2.549 103 D HA 0.157 4.797 4.640 -0.001 0.000 0.251 103 D C 0.556 176.734 176.300 -0.202 0.000 1.153 103 D CA -0.596 53.273 54.000 -0.218 0.000 0.861 103 D CB 0.462 41.242 40.800 -0.034 0.000 1.207 103 D HN 0.148 nan 8.370 nan 0.000 0.543 104 F N 1.343 121.300 119.950 0.011 0.000 2.408 104 F HA -0.047 4.479 4.527 -0.001 0.000 0.300 104 F C 2.055 177.856 175.800 0.002 0.000 1.090 104 F CA 0.799 58.805 58.000 0.010 0.000 1.427 104 F CB 0.094 39.158 39.000 0.106 0.000 1.070 104 F HN 0.558 nan 8.300 nan 0.000 0.549 105 H N -0.958 118.176 119.070 0.107 0.000 2.465 105 H HA 0.282 4.837 4.556 -0.001 0.000 0.289 105 H C 1.145 176.441 175.328 -0.053 0.000 1.022 105 H CA -0.020 56.036 56.048 0.014 0.000 1.340 105 H CB 0.224 29.993 29.762 0.013 0.000 1.437 105 H HN 0.100 nan 8.280 nan 0.000 0.539 106 A N 1.310 124.173 122.820 0.072 0.000 2.354 106 A HA 0.536 4.855 4.320 -0.001 0.000 0.281 106 A C 0.430 177.960 177.584 -0.090 0.000 1.174 106 A CA 0.438 52.443 52.037 -0.054 0.000 0.828 106 A CB 0.144 19.089 19.000 -0.092 0.000 1.099 106 A HN 0.431 nan 8.150 nan 0.000 0.516 107 G N 0.017 108.748 108.800 -0.114 0.000 2.559 107 G HA2 0.555 4.515 3.960 -0.001 0.000 0.291 107 G HA3 0.555 4.515 3.960 -0.001 0.000 0.291 107 G C -1.686 173.122 174.900 -0.153 0.000 1.424 107 G CA -0.391 44.645 45.100 -0.107 0.000 0.786 107 G HN 1.034 nan 8.290 nan 0.000 0.485 108 V N 0.600 120.403 119.914 -0.185 0.000 2.588 108 V HA 0.788 4.908 4.120 -0.001 0.000 0.304 108 V C 0.230 175.957 176.094 -0.613 0.000 1.042 108 V CA -0.410 61.666 62.300 -0.373 0.000 0.877 108 V CB 1.621 33.234 31.823 -0.350 0.000 0.996 108 V HN 1.225 nan 8.190 nan 0.000 0.425 109 T N 0.868 114.980 114.554 -0.738 0.000 2.912 109 T HA 0.868 5.217 4.350 -0.001 0.000 0.288 109 T C -0.937 173.149 174.700 -1.022 0.000 1.030 109 T CA -0.506 61.184 62.100 -0.683 0.000 1.020 109 T CB 1.728 70.364 68.868 -0.388 0.000 1.056 109 T HN 0.213 nan 8.240 nan 0.000 0.480 110 F N -0.432 119.373 119.950 -0.242 0.000 2.611 110 F HA 0.567 5.093 4.527 -0.001 0.000 0.324 110 F C -0.257 175.387 175.800 -0.260 0.000 1.061 110 F CA -1.918 55.929 58.000 -0.254 0.000 0.954 110 F CB 1.369 40.302 39.000 -0.111 0.000 1.301 110 F HN 0.542 nan 8.300 nan 0.000 0.482 111 F N 1.960 121.985 119.950 0.125 0.000 2.652 111 F HA 0.538 5.065 4.527 -0.000 0.000 0.352 111 F C 0.376 176.208 175.800 0.053 0.000 1.259 111 F CA -0.115 57.912 58.000 0.046 0.000 1.249 111 F CB -0.374 38.631 39.000 0.009 0.000 1.628 111 F HN 0.456 nan 8.300 nan 0.000 0.654 112 A N 2.525 125.451 122.820 0.178 0.000 2.488 112 A HA 0.632 4.951 4.320 -0.001 0.000 0.298 112 A C 0.103 177.718 177.584 0.053 0.000 1.044 112 A CA -0.657 51.440 52.037 0.099 0.000 0.693 112 A CB 0.975 20.015 19.000 0.066 0.000 1.272 112 A HN 0.672 nan 8.150 nan 0.000 0.402 113 I N -1.037 119.545 120.570 0.019 0.000 4.082 113 I HA 0.338 4.507 4.170 -0.001 0.000 0.337 113 I C 0.524 176.607 176.117 -0.056 0.000 1.352 113 I CA -0.038 61.254 61.300 -0.012 0.000 1.097 113 I CB 0.123 38.113 38.000 -0.017 0.000 1.048 113 I HN 0.685 nan 8.210 nan 0.000 0.393 114 E N 3.205 123.367 120.200 -0.064 0.000 2.415 114 E HA 0.182 4.531 4.350 -0.001 0.000 0.263 114 E C -0.354 176.196 176.600 -0.084 0.000 0.995 114 E CA 0.294 56.619 56.400 -0.126 0.000 0.915 114 E CB 0.582 30.246 29.700 -0.060 0.000 0.951 114 E HN 0.593 nan 8.360 nan 0.000 0.449 115 S N 2.165 117.781 115.700 -0.139 0.000 2.570 115 S HA 0.776 5.246 4.470 -0.001 0.000 0.270 115 S C -1.299 173.336 174.600 0.058 0.000 1.149 115 S CA -0.704 57.492 58.200 -0.007 0.000 0.837 115 S CB 1.761 64.972 63.200 0.020 0.000 1.124 115 S HN 0.611 nan 8.310 nan 0.000 0.465 116 A N 1.206 124.118 122.820 0.153 0.000 2.398 116 A HA 0.828 5.148 4.320 -0.001 0.000 0.301 116 A C -1.649 176.228 177.584 0.488 0.000 1.041 116 A CA -0.645 51.540 52.037 0.247 0.000 0.711 116 A CB 1.231 20.137 19.000 -0.157 0.000 1.240 116 A HN 1.456 nan 8.150 nan 0.000 0.420 117 Y N 1.593 122.198 120.300 0.509 0.000 2.504 117 Y HA 0.707 5.256 4.550 -0.001 0.000 0.344 117 Y C -1.810 174.306 175.900 0.359 0.000 1.023 117 Y CA -0.971 57.406 58.100 0.460 0.000 1.020 117 Y CB 1.635 40.235 38.460 0.234 0.000 1.282 117 Y HN 0.655 nan 8.280 nan 0.000 0.454 118 L N 7.412 128.302 121.223 -0.554 0.000 2.362 118 L HA 0.509 4.848 4.340 -0.001 0.000 0.275 118 L C -2.160 173.956 176.870 -1.256 0.000 0.998 118 L CA -2.080 52.293 54.840 -0.779 0.000 0.820 118 L CB 2.842 44.405 42.059 -0.826 0.000 1.270 118 L HN 0.533 nan 8.230 nan 0.000 0.415 119 P HA 0.051 nan 4.420 nan 0.000 0.238 119 P C -1.394 175.318 177.300 -0.981 0.000 1.714 119 P CA 0.371 62.921 63.100 -0.917 0.000 0.908 119 P CB -0.562 30.764 31.700 -0.624 0.000 1.893 120 Y N -1.812 118.357 120.300 -0.218 0.000 2.562 120 Y HA 0.490 5.039 4.550 -0.001 0.000 0.345 120 Y C 0.427 176.423 175.900 0.159 0.000 1.045 120 Y CA -0.930 57.180 58.100 0.017 0.000 1.028 120 Y CB 1.651 40.161 38.460 0.083 0.000 1.297 120 Y HN -0.297 nan 8.280 nan 0.000 0.463 121 T N 2.347 117.083 114.554 0.304 0.000 2.840 121 T HA 0.599 4.948 4.350 -0.001 0.000 0.287 121 T C -1.021 173.689 174.700 0.018 0.000 0.991 121 T CA -0.609 61.583 62.100 0.152 0.000 0.964 121 T CB 1.206 70.109 68.868 0.057 0.000 0.954 121 T HN 0.355 nan 8.240 nan 0.000 0.438 122 V N 3.537 123.416 119.914 -0.058 0.000 2.628 122 V HA 0.582 4.701 4.120 -0.001 0.000 0.306 122 V C -0.245 175.774 176.094 -0.126 0.000 1.045 122 V CA -0.742 61.442 62.300 -0.193 0.000 0.905 122 V CB 1.979 33.605 31.823 -0.329 0.000 0.997 122 V HN 0.815 nan 8.190 nan 0.000 0.436 123 Q N 2.918 122.643 119.800 -0.124 0.000 2.375 123 Q HA 0.476 4.816 4.340 -0.001 0.000 0.271 123 Q C -0.980 174.976 176.000 -0.074 0.000 1.074 123 Q CA -0.808 54.936 55.803 -0.099 0.000 0.808 123 Q CB 2.229 30.846 28.738 -0.202 0.000 1.327 123 Q HN 0.695 nan 8.270 nan 0.000 0.441 124 K N 1.784 122.108 120.400 -0.127 0.000 2.201 124 K HA 0.284 4.604 4.320 -0.001 0.000 0.278 124 K C -0.496 175.996 176.600 -0.180 0.000 1.027 124 K CA -0.237 55.831 56.287 -0.364 0.000 0.909 124 K CB 0.964 33.170 32.500 -0.489 0.000 1.062 124 K HN 0.740 nan 8.250 nan 0.000 0.465 125 S N 1.836 117.444 115.700 -0.152 0.000 2.652 125 S HA 0.028 4.497 4.470 -0.001 0.000 0.270 125 S C 1.220 175.788 174.600 -0.052 0.000 1.243 125 S CA -0.121 58.055 58.200 -0.041 0.000 0.999 125 S CB 1.489 64.711 63.200 0.036 0.000 0.973 125 S HN 0.715 nan 8.310 nan 0.000 0.544 126 S N -0.042 115.659 115.700 0.002 0.000 2.442 126 S HA -0.184 4.286 4.470 -0.001 0.000 0.236 126 S C 1.036 175.629 174.600 -0.012 0.000 1.007 126 S CA 1.196 59.397 58.200 0.002 0.000 0.965 126 S CB -1.018 62.200 63.200 0.029 0.000 0.773 126 S HN 0.936 nan 8.310 nan 0.000 0.504 127 D N -0.019 120.374 120.400 -0.011 0.000 2.349 127 D HA 0.303 4.942 4.640 -0.001 0.000 0.224 127 D C 1.400 177.678 176.300 -0.036 0.000 1.029 127 D CA 0.600 54.597 54.000 -0.006 0.000 0.879 127 D CB -0.499 40.312 40.800 0.018 0.000 0.906 127 D HN 0.551 nan 8.370 nan 0.000 0.528 128 G N -0.242 108.500 108.800 -0.097 0.000 2.157 128 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.239 128 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.239 128 G C 0.259 174.973 174.900 -0.308 0.000 0.982 128 G CA -0.140 44.854 45.100 -0.177 0.000 0.650 128 G HN 0.429 nan 8.290 nan 0.000 0.527 129 R N -0.970 119.377 120.500 -0.256 0.000 2.549 129 R HA 0.692 5.031 4.340 -0.001 0.000 0.267 129 R C -0.673 175.301 176.300 -0.544 0.000 1.045 129 R CA -0.530 55.395 56.100 -0.292 0.000 1.115 129 R CB 0.536 30.728 30.300 -0.180 0.000 1.121 129 R HN 0.076 nan 8.270 nan 0.000 0.543 130 F N 1.411 121.127 119.950 -0.390 0.000 2.449 130 F HA 0.379 4.906 4.527 -0.001 0.000 0.342 130 F C -0.618 174.833 175.800 -0.581 0.000 1.127 130 F CA -0.658 57.126 58.000 -0.360 0.000 0.975 130 F CB 0.935 39.745 39.000 -0.317 0.000 1.146 130 F HN 0.290 nan 8.300 nan 0.000 0.444 131 Y N 1.542 121.781 120.300 -0.102 0.000 2.485 131 Y HA 0.511 5.061 4.550 -0.001 0.000 0.345 131 Y C -0.617 175.170 175.900 -0.187 0.000 0.998 131 Y CA -1.575 56.453 58.100 -0.121 0.000 1.059 131 Y CB 1.230 39.601 38.460 -0.149 0.000 1.234 131 Y HN 0.348 nan 8.280 nan 0.000 0.461 132 F N 1.977 121.961 119.950 0.057 0.000 2.462 132 F HA 0.178 4.704 4.527 -0.001 0.000 0.360 132 F C 1.157 176.933 175.800 -0.041 0.000 1.134 132 F CA -0.326 57.679 58.000 0.008 0.000 1.148 132 F CB 0.485 39.480 39.000 -0.009 0.000 1.147 132 F HN 0.405 nan 8.300 nan 0.000 0.550 133 V N -1.436 118.456 119.914 -0.037 0.000 3.650 133 V HA 0.249 4.368 4.120 -0.001 0.000 0.271 133 V C -0.219 175.819 176.094 -0.094 0.000 1.281 133 V CA 0.358 62.537 62.300 -0.202 0.000 1.120 133 V CB -0.011 31.373 31.823 -0.730 0.000 0.856 133 V HN 0.631 nan 8.190 nan 0.000 0.443 134 D N -0.361 120.058 120.400 0.031 0.000 2.966 134 D HA 0.590 5.230 4.640 -0.001 0.000 0.222 134 D C -1.576 174.832 176.300 0.180 0.000 1.292 134 D CA -0.214 53.853 54.000 0.112 0.000 0.907 134 D CB 1.976 42.840 40.800 0.107 0.000 1.621 134 D HN 0.096 nan 8.370 nan 0.000 0.557 135 I N 3.464 124.110 120.570 0.127 0.000 2.411 135 I HA 0.346 4.515 4.170 -0.001 0.000 0.284 135 I C -0.209 175.880 176.117 -0.048 0.000 1.012 135 I CA -0.317 61.036 61.300 0.088 0.000 1.119 135 I CB 1.586 39.636 38.000 0.083 0.000 1.261 135 I HN 0.420 nan 8.210 nan 0.000 0.448 136 M N 5.271 124.791 119.600 -0.133 0.000 3.346 136 M HA 0.348 4.828 4.480 -0.001 0.000 0.240 136 M C 0.081 176.246 176.300 -0.224 0.000 1.190 136 M CA 0.104 55.317 55.300 -0.146 0.000 1.192 136 M CB 0.347 32.919 32.600 -0.046 0.000 1.182 136 M HN 0.540 nan 8.290 nan 0.000 0.570 137 T N -1.992 112.404 114.554 -0.264 0.000 2.853 137 T HA 0.465 4.815 4.350 -0.001 0.000 0.311 137 T C -0.352 174.200 174.700 -0.247 0.000 1.307 137 T CA -0.555 61.407 62.100 -0.229 0.000 1.019 137 T CB 0.673 69.421 68.868 -0.201 0.000 1.264 137 T HN 0.208 nan 8.240 nan 0.000 0.497 138 F N 1.857 121.793 119.950 -0.024 0.000 2.811 138 F HA 0.296 4.823 4.527 -0.001 0.000 0.301 138 F C 1.768 177.562 175.800 -0.009 0.000 1.151 138 F CA -0.119 57.875 58.000 -0.009 0.000 1.412 138 F CB 0.433 39.429 39.000 -0.005 0.000 1.113 138 F HN 0.411 nan 8.300 nan 0.000 0.579 139 S N -0.023 115.740 115.700 0.105 0.000 2.565 139 S HA 0.118 4.587 4.470 -0.001 0.000 0.276 139 S C 1.065 175.689 174.600 0.039 0.000 1.326 139 S CA -0.200 58.039 58.200 0.066 0.000 1.045 139 S CB 0.674 63.896 63.200 0.037 0.000 0.918 139 S HN 0.250 nan 8.310 nan 0.000 0.505 140 S N 2.904 118.622 115.700 0.030 0.000 2.568 140 S HA 0.272 4.741 4.470 -0.001 0.000 0.232 140 S C 0.850 175.438 174.600 -0.021 0.000 0.975 140 S CA -0.493 57.714 58.200 0.012 0.000 0.949 140 S CB -0.022 63.197 63.200 0.031 0.000 0.829 140 S HN 0.810 nan 8.310 nan 0.000 0.479 141 E N 1.043 121.220 120.200 -0.038 0.000 2.268 141 E HA 0.127 4.477 4.350 -0.001 0.000 0.195 141 E C -0.014 176.495 176.600 -0.152 0.000 0.995 141 E CA 0.724 57.080 56.400 -0.074 0.000 0.836 141 E CB 0.078 29.734 29.700 -0.074 0.000 0.763 141 E HN 0.617 nan 8.360 nan 0.000 0.491 142 I N 1.014 121.467 120.570 -0.196 0.000 2.499 142 I HA 0.312 4.481 4.170 -0.001 0.000 0.288 142 I C -0.359 175.606 176.117 -0.253 0.000 1.048 142 I CA -0.577 60.497 61.300 -0.378 0.000 1.062 142 I CB 1.879 39.432 38.000 -0.745 0.000 1.238 142 I HN -0.177 nan 8.210 nan 0.000 0.426 143 R N 3.759 124.132 120.500 -0.212 0.000 2.892 143 R HA 0.656 4.996 4.340 -0.001 0.000 0.265 143 R C -0.932 175.361 176.300 -0.013 0.000 1.025 143 R CA -1.042 55.015 56.100 -0.071 0.000 0.982 143 R CB 2.207 32.503 30.300 -0.007 0.000 1.185 143 R HN 0.244 nan 8.270 nan 0.000 0.484 144 V N 1.576 121.533 119.914 0.072 0.000 2.694 144 V HA 0.105 4.224 4.120 -0.001 0.000 0.306 144 V C 1.439 177.625 176.094 0.154 0.000 1.054 144 V CA 1.920 64.299 62.300 0.132 0.000 1.161 144 V CB 0.634 32.549 31.823 0.153 0.000 0.916 144 V HN 1.136 nan 8.190 nan 0.000 0.490 145 G N 3.389 112.243 108.800 0.091 0.000 2.258 145 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.233 145 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.233 145 G C 0.022 175.004 174.900 0.137 0.000 1.006 145 G CA 0.082 45.151 45.100 -0.051 0.000 0.620 145 G HN 0.679 nan 8.290 nan 0.000 0.511 146 D N 1.269 121.760 120.400 0.152 0.000 2.400 146 D HA 0.428 5.067 4.640 -0.001 0.000 0.238 146 D C 0.567 177.036 176.300 0.281 0.000 1.157 146 D CA 0.384 54.458 54.000 0.123 0.000 0.889 146 D CB 0.925 41.688 40.800 -0.062 0.000 1.199 146 D HN 0.601 nan 8.370 nan 0.000 0.436 147 E N 1.219 121.476 120.200 0.096 0.000 2.191 147 E HA 0.312 4.662 4.350 -0.001 0.000 0.278 147 E C -1.086 175.514 176.600 -0.001 0.000 0.972 147 E CA -0.881 55.432 56.400 -0.144 0.000 0.804 147 E CB 1.063 30.534 29.700 -0.383 0.000 1.110 147 E HN 0.160 nan 8.360 nan 0.000 0.394 148 L N 5.831 126.995 121.223 -0.098 0.000 2.281 148 L HA 0.221 4.560 4.340 -0.001 0.000 0.285 148 L C -0.294 176.510 176.870 -0.111 0.000 1.074 148 L CA 0.309 55.109 54.840 -0.066 0.000 0.817 148 L CB 0.752 42.611 42.059 -0.334 0.000 1.168 148 L HN 0.842 nan 8.230 nan 0.000 0.434 149 L N 3.006 124.185 121.223 -0.074 0.000 2.347 149 L HA 0.384 4.723 4.340 -0.001 0.000 0.196 149 L C 0.353 177.159 176.870 -0.106 0.000 1.072 149 L CA 0.166 54.956 54.840 -0.083 0.000 0.817 149 L CB 0.143 42.169 42.059 -0.056 0.000 1.029 149 L HN 0.620 nan 8.230 nan 0.000 0.478 150 E N -1.065 119.083 120.200 -0.086 0.000 2.449 150 E HA 0.527 4.876 4.350 -0.001 0.000 0.278 150 E C -1.529 175.033 176.600 -0.064 0.000 0.992 150 E CA -0.680 55.667 56.400 -0.088 0.000 0.807 150 E CB 3.162 32.825 29.700 -0.061 0.000 1.350 150 E HN -0.290 nan 8.360 nan 0.000 0.462 151 V N 1.872 121.752 119.914 -0.057 0.000 2.482 151 V HA 0.187 4.307 4.120 -0.001 0.000 0.295 151 V C -0.720 175.370 176.094 -0.006 0.000 1.026 151 V CA -0.741 61.550 62.300 -0.015 0.000 0.856 151 V CB 1.392 33.220 31.823 0.008 0.000 1.001 151 V HN 0.806 nan 8.190 nan 0.000 0.424 152 D N 4.182 124.583 120.400 0.001 0.000 2.708 152 D HA -0.202 4.437 4.640 -0.001 0.000 0.236 152 D C 1.330 177.625 176.300 -0.007 0.000 1.146 152 D CA 1.504 55.508 54.000 0.007 0.000 0.662 152 D CB -0.893 39.927 40.800 0.032 0.000 1.059 152 D HN 1.470 nan 8.370 nan 0.000 0.428 153 G N -1.169 107.620 108.800 -0.018 0.000 2.189 153 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.267 153 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.267 153 G C 0.374 175.257 174.900 -0.028 0.000 0.975 153 G CA 0.796 45.883 45.100 -0.021 0.000 0.644 153 G HN 1.222 nan 8.290 nan 0.000 0.537 154 A N 1.084 123.882 122.820 -0.036 0.000 2.288 154 A HA 0.807 5.126 4.320 -0.001 0.000 0.320 154 A C -1.769 175.771 177.584 -0.074 0.000 1.217 154 A CA -1.459 50.549 52.037 -0.049 0.000 0.840 154 A CB 1.452 20.423 19.000 -0.049 0.000 1.179 154 A HN 0.170 nan 8.150 nan 0.000 0.504 155 P HA -0.008 nan 4.420 nan 0.000 0.264 155 P C 1.244 178.448 177.300 -0.160 0.000 1.183 155 P CA 0.100 63.144 63.100 -0.095 0.000 0.763 155 P CB 0.629 32.295 31.700 -0.058 0.000 0.807 156 V N 3.334 123.097 119.914 -0.251 0.000 2.313 156 V HA -0.322 3.797 4.120 -0.001 0.000 0.253 156 V C 2.568 178.414 176.094 -0.413 0.000 1.070 156 V CA 2.305 64.340 62.300 -0.442 0.000 1.057 156 V CB -1.393 29.930 31.823 -0.833 0.000 0.653 156 V HN 0.534 nan 8.190 nan 0.000 0.450 157 Q N -0.253 119.389 119.800 -0.264 0.000 2.135 157 Q HA -0.202 4.137 4.340 -0.001 0.000 0.204 157 Q C 1.978 177.899 176.000 -0.132 0.000 0.981 157 Q CA 1.913 57.649 55.803 -0.112 0.000 0.856 157 Q CB -0.412 28.350 28.738 0.039 0.000 0.902 157 Q HN 0.642 nan 8.270 nan 0.000 0.425 158 D N -0.634 119.689 120.400 -0.128 0.000 2.117 158 D HA -0.091 4.548 4.640 -0.001 0.000 0.198 158 D C 1.899 178.088 176.300 -0.184 0.000 0.982 158 D CA 0.900 54.828 54.000 -0.120 0.000 0.828 158 D CB -0.128 40.623 40.800 -0.082 0.000 0.967 158 D HN 0.077 nan 8.370 nan 0.000 0.464 159 V N 1.193 120.984 119.914 -0.205 0.000 2.343 159 V HA -0.210 3.909 4.120 -0.001 0.000 0.247 159 V C 2.661 178.564 176.094 -0.317 0.000 1.051 159 V CA 1.126 63.296 62.300 -0.218 0.000 1.036 159 V CB -0.510 31.192 31.823 -0.201 0.000 0.654 159 V HN 0.196 nan 8.190 nan 0.000 0.451 160 L N 0.178 121.160 121.223 -0.402 0.000 2.083 160 L HA -0.169 4.170 4.340 -0.001 0.000 0.209 160 L C 2.726 178.963 176.870 -1.055 0.000 1.083 160 L CA 1.453 55.953 54.840 -0.566 0.000 0.752 160 L CB -0.778 41.026 42.059 -0.425 0.000 0.899 160 L HN 0.377 nan 8.230 nan 0.000 0.433 161 A N 0.037 122.331 122.820 -0.877 0.000 1.978 161 A HA -0.238 4.081 4.320 -0.001 0.000 0.220 161 A C 2.366 179.643 177.584 -0.511 0.000 1.170 161 A CA 2.227 53.760 52.037 -0.840 0.000 0.636 161 A CB -0.905 17.956 19.000 -0.232 0.000 0.810 161 A HN 0.542 nan 8.150 nan 0.000 0.448 162 T N -2.656 111.680 114.554 -0.364 0.000 3.085 162 T HA 0.169 4.519 4.350 -0.001 0.000 0.263 162 T C 1.318 175.895 174.700 -0.205 0.000 1.127 162 T CA 1.044 63.019 62.100 -0.208 0.000 1.103 162 T CB -0.287 68.492 68.868 -0.148 0.000 0.921 162 T HN 0.323 nan 8.240 nan 0.000 0.510 163 L N -0.703 120.329 121.223 -0.319 0.000 2.640 163 L HA 0.377 4.716 4.340 -0.001 0.000 0.230 163 L C 0.176 176.993 176.870 -0.088 0.000 1.123 163 L CA -0.596 54.116 54.840 -0.213 0.000 0.900 163 L CB -0.137 41.780 42.059 -0.236 0.000 1.146 163 L HN 0.178 nan 8.230 nan 0.000 0.484 164 Y N 1.061 121.273 120.300 -0.147 0.000 2.385 164 Y HA 0.336 4.885 4.550 -0.001 0.000 0.346 164 Y C 1.308 177.164 175.900 -0.073 0.000 1.270 164 Y CA -0.847 57.132 58.100 -0.201 0.000 1.472 164 Y CB -0.008 38.165 38.460 -0.478 0.000 1.354 164 Y HN -0.097 nan 8.280 nan 0.000 0.611 165 G N -0.107 108.792 108.800 0.165 0.000 2.562 165 G HA2 0.282 4.241 3.960 -0.001 0.000 0.275 165 G HA3 0.282 4.241 3.960 -0.001 0.000 0.275 165 G C 0.675 175.644 174.900 0.115 0.000 1.196 165 G CA -0.337 44.831 45.100 0.114 0.000 0.908 165 G HN 0.639 nan 8.290 nan 0.000 0.524 166 S N 0.259 116.011 115.700 0.086 0.000 2.387 166 S HA -0.122 4.347 4.470 -0.001 0.000 0.230 166 S C 1.350 176.007 174.600 0.095 0.000 1.035 166 S CA 1.024 59.279 58.200 0.091 0.000 1.014 166 S CB -0.082 63.173 63.200 0.092 0.000 0.836 166 S HN 0.575 nan 8.310 nan 0.000 0.466 167 N N 0.984 119.731 118.700 0.078 0.000 2.538 167 N HA 0.073 4.812 4.740 -0.001 0.000 0.291 167 N C -0.482 175.061 175.510 0.054 0.000 1.323 167 N CA -0.040 53.046 53.050 0.060 0.000 0.934 167 N CB 0.004 38.517 38.487 0.044 0.000 1.255 167 N HN 0.534 nan 8.380 nan 0.000 0.509 168 H N 1.569 120.620 119.070 -0.031 0.000 3.094 168 H HA -0.023 4.532 4.556 -0.001 0.000 0.320 168 H C 0.368 175.637 175.328 -0.099 0.000 1.000 168 H CA 0.768 56.761 56.048 -0.092 0.000 1.413 168 H CB 0.858 30.531 29.762 -0.147 0.000 1.405 168 H HN -0.005 nan 8.280 nan 0.000 0.586 169 K N 3.614 123.741 120.400 -0.454 0.000 2.399 169 K HA 0.075 4.394 4.320 -0.001 0.000 0.204 169 K C 1.234 177.531 176.600 -0.504 0.000 1.023 169 K CA 0.505 56.574 56.287 -0.363 0.000 1.127 169 K CB 0.859 33.267 32.500 -0.154 0.000 0.856 169 K HN 0.990 nan 8.250 nan 0.000 0.514 170 G N 2.713 110.839 108.800 -1.124 0.000 2.175 170 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.265 170 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.265 170 G C 0.466 175.195 174.900 -0.285 0.000 0.979 170 G CA 1.163 45.831 45.100 -0.719 0.000 0.663 170 G HN 0.443 nan 8.290 nan 0.000 0.533 171 T N -2.571 111.861 114.554 -0.203 0.000 2.802 171 T HA 0.632 4.981 4.350 -0.001 0.000 0.305 171 T C 1.755 176.480 174.700 0.041 0.000 1.053 171 T CA 0.495 62.580 62.100 -0.025 0.000 1.058 171 T CB 1.614 70.513 68.868 0.052 0.000 0.988 171 T HN 1.370 nan 8.240 nan 0.000 0.539 172 A N 1.450 124.303 122.820 0.056 0.000 1.969 172 A HA 0.224 4.543 4.320 -0.001 0.000 0.218 172 A C 2.642 180.290 177.584 0.107 0.000 1.169 172 A CA 1.574 53.656 52.037 0.074 0.000 0.635 172 A CB -1.465 17.559 19.000 0.041 0.000 0.810 172 A HN 1.227 nan 8.150 nan 0.000 0.445 173 A N 0.097 122.984 122.820 0.110 0.000 1.877 173 A HA -0.193 4.127 4.320 -0.001 0.000 0.216 173 A C 1.903 179.670 177.584 0.304 0.000 1.186 173 A CA 1.700 53.808 52.037 0.118 0.000 0.620 173 A CB -0.560 18.499 19.000 0.098 0.000 0.822 173 A HN 0.631 nan 8.150 nan 0.000 0.443 174 E N -0.560 119.871 120.200 0.385 0.000 2.077 174 E HA -0.188 4.161 4.350 -0.001 0.000 0.193 174 E C 2.093 178.900 176.600 0.345 0.000 0.989 174 E CA 1.117 57.764 56.400 0.412 0.000 0.800 174 E CB -0.143 29.731 29.700 0.290 0.000 0.746 174 E HN 0.653 nan 8.360 nan 0.000 0.452 175 E N 0.460 120.832 120.200 0.287 0.000 2.051 175 E HA -0.144 4.205 4.350 -0.001 0.000 0.192 175 E C 2.254 179.016 176.600 0.270 0.000 0.991 175 E CA 1.002 57.593 56.400 0.318 0.000 0.799 175 E CB 0.037 29.895 29.700 0.263 0.000 0.748 175 E HN 0.080 nan 8.360 nan 0.000 0.449 176 S N 0.601 116.426 115.700 0.208 0.000 2.383 176 S HA -0.173 4.296 4.470 -0.001 0.000 0.229 176 S C 2.034 176.747 174.600 0.188 0.000 1.030 176 S CA 1.005 59.308 58.200 0.171 0.000 1.002 176 S CB -0.171 63.109 63.200 0.134 0.000 0.829 176 S HN 0.390 nan 8.310 nan 0.000 0.467 177 A N 1.560 124.524 122.820 0.240 0.000 1.902 177 A HA 0.065 4.384 4.320 -0.001 0.000 0.217 177 A C 2.357 180.067 177.584 0.210 0.000 1.181 177 A CA 1.749 53.941 52.037 0.258 0.000 0.623 177 A CB -1.053 18.190 19.000 0.406 0.000 0.818 177 A HN 0.527 nan 8.150 nan 0.000 0.443 178 A N -0.793 122.162 122.820 0.226 0.000 1.930 178 A HA 0.021 4.340 4.320 -0.001 0.000 0.217 178 A C 2.025 179.636 177.584 0.046 0.000 1.175 178 A CA 1.440 53.562 52.037 0.143 0.000 0.627 178 A CB -0.463 18.668 19.000 0.218 0.000 0.815 178 A HN 0.397 nan 8.150 nan 0.000 0.443 179 L N 0.024 121.294 121.223 0.078 0.000 2.127 179 L HA -0.123 4.216 4.340 -0.001 0.000 0.211 179 L C 2.463 179.329 176.870 -0.007 0.000 1.089 179 L CA 1.671 56.514 54.840 0.005 0.000 0.757 179 L CB -1.122 40.980 42.059 0.072 0.000 0.899 179 L HN 0.439 nan 8.230 nan 0.000 0.434 180 R N -1.401 119.138 120.500 0.065 0.000 2.127 180 R HA -0.134 4.205 4.340 -0.001 0.000 0.238 180 R C 1.901 178.253 176.300 0.087 0.000 1.134 180 R CA 1.785 57.942 56.100 0.094 0.000 0.975 180 R CB -0.312 30.064 30.300 0.127 0.000 0.865 180 R HN 0.338 nan 8.270 nan 0.000 0.447 181 T N 1.362 115.940 114.554 0.040 0.000 3.043 181 T HA 0.054 4.404 4.350 -0.001 0.000 0.263 181 T C 1.677 176.351 174.700 -0.044 0.000 1.094 181 T CA 0.090 62.188 62.100 -0.004 0.000 1.127 181 T CB 0.056 68.852 68.868 -0.120 0.000 0.905 181 T HN 0.144 nan 8.240 nan 0.000 0.490 182 L N 0.309 121.439 121.223 -0.155 0.000 2.010 182 L HA -0.133 4.207 4.340 -0.001 0.000 0.219 182 L C 0.913 177.705 176.870 -0.131 0.000 1.077 182 L CA 2.006 56.642 54.840 -0.340 0.000 0.773 182 L CB -0.248 41.348 42.059 -0.771 0.000 0.892 182 L HN 0.364 nan 8.230 nan 0.000 0.436 183 F N -1.637 118.400 119.950 0.146 0.000 2.772 183 F HA 0.191 4.718 4.527 -0.001 0.000 0.302 183 F C 0.431 176.417 175.800 0.309 0.000 1.136 183 F CA -0.428 57.688 58.000 0.193 0.000 1.322 183 F CB 0.756 39.748 39.000 -0.013 0.000 0.967 183 F HN -0.078 nan 8.300 nan 0.000 0.513 184 S N 1.480 117.469 115.700 0.483 0.000 2.446 184 S HA 0.373 4.842 4.470 -0.001 0.000 0.230 184 S C -1.039 173.747 174.600 0.311 0.000 1.051 184 S CA -0.677 57.802 58.200 0.466 0.000 1.113 184 S CB 0.293 63.759 63.200 0.443 0.000 1.184 184 S HN 0.098 nan 8.310 nan 0.000 0.435 185 R N 3.595 124.247 120.500 0.254 0.000 2.338 185 R HA 0.573 4.913 4.340 -0.001 0.000 0.317 185 R C -0.747 175.707 176.300 0.256 0.000 0.968 185 R CA -0.355 55.865 56.100 0.200 0.000 0.849 185 R CB 1.245 31.521 30.300 -0.040 0.000 1.128 185 R HN 0.613 nan 8.270 nan 0.000 0.448 186 M N 1.371 121.200 119.600 0.381 0.000 2.197 186 M HA 0.335 4.814 4.480 -0.001 0.000 0.301 186 M C 0.824 177.129 176.300 0.008 0.000 0.987 186 M CA -0.532 54.839 55.300 0.119 0.000 0.921 186 M CB 2.376 35.008 32.600 0.054 0.000 1.569 186 M HN 0.730 nan 8.290 nan 0.000 0.431 187 A N 1.062 123.892 122.820 0.017 0.000 2.019 187 A HA -0.103 4.216 4.320 -0.001 0.000 0.219 187 A C 2.046 179.633 177.584 0.005 0.000 1.164 187 A CA 2.087 54.115 52.037 -0.014 0.000 0.644 187 A CB -0.633 18.357 19.000 -0.017 0.000 0.805 187 A HN 0.923 nan 8.150 nan 0.000 0.449 188 S N -0.433 115.282 115.700 0.026 0.000 2.469 188 S HA 0.008 4.478 4.470 -0.001 0.000 0.238 188 S C 1.325 175.999 174.600 0.124 0.000 0.998 188 S CA 1.256 59.508 58.200 0.086 0.000 0.957 188 S CB -0.423 62.780 63.200 0.004 0.000 0.764 188 S HN 0.468 nan 8.310 nan 0.000 0.514 189 L N 0.544 121.741 121.223 -0.042 0.000 2.693 189 L HA 0.401 4.740 4.340 -0.001 0.000 0.235 189 L C 1.618 178.472 176.870 -0.026 0.000 1.127 189 L CA 0.230 54.974 54.840 -0.161 0.000 0.914 189 L CB -0.157 41.556 42.059 -0.576 0.000 1.193 189 L HN 0.535 nan 8.230 nan 0.000 0.502 190 G N -0.336 108.503 108.800 0.064 0.000 2.136 190 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.242 190 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.242 190 G C 0.085 174.990 174.900 0.008 0.000 0.989 190 G CA -0.233 44.839 45.100 -0.048 0.000 0.682 190 G HN 0.356 nan 8.290 nan 0.000 0.522 191 H N 0.181 119.255 119.070 0.007 0.000 2.629 191 H HA 0.398 4.953 4.556 -0.001 0.000 0.357 191 H C 0.755 176.058 175.328 -0.041 0.000 1.121 191 H CA -0.211 55.831 56.048 -0.010 0.000 1.406 191 H CB 0.830 30.594 29.762 0.003 0.000 1.456 191 H HN 0.240 nan 8.280 nan 0.000 0.579 192 K N 1.764 122.214 120.400 0.084 0.000 2.339 192 K HA 0.223 4.542 4.320 -0.001 0.000 0.286 192 K C -0.758 175.837 176.600 -0.009 0.000 1.050 192 K CA -0.373 55.923 56.287 0.015 0.000 0.956 192 K CB 0.523 33.018 32.500 -0.007 0.000 0.990 192 K HN 0.239 nan 8.250 nan 0.000 0.475 193 V N 7.273 127.182 119.914 -0.009 0.000 2.383 193 V HA 0.261 4.380 4.120 -0.001 0.000 0.275 193 V C -1.523 174.485 176.094 -0.144 0.000 1.036 193 V CA -1.464 60.809 62.300 -0.044 0.000 0.889 193 V CB 0.813 32.681 31.823 0.075 0.000 0.985 193 V HN 0.839 nan 8.190 nan 0.000 0.459 194 P HA 0.626 nan 4.420 nan 0.000 0.281 194 P C -0.644 176.295 177.300 -0.603 0.000 1.281 194 P CA -0.301 62.490 63.100 -0.515 0.000 0.811 194 P CB 1.838 33.089 31.700 -0.748 0.000 1.154 195 S N -2.907 112.490 115.700 -0.504 0.000 2.661 195 S HA 0.675 5.145 4.470 -0.001 0.000 0.268 195 S C 0.012 174.581 174.600 -0.051 0.000 1.162 195 S CA 0.060 58.041 58.200 -0.366 0.000 0.817 195 S CB 0.762 63.475 63.200 -0.812 0.000 1.141 195 S HN 1.014 nan 8.310 nan 0.000 0.477 196 G N 0.991 109.816 108.800 0.042 0.000 2.642 196 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.231 196 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.231 196 G C -0.792 174.237 174.900 0.215 0.000 1.338 196 G CA -0.272 44.886 45.100 0.097 0.000 0.883 196 G HN 0.927 nan 8.290 nan 0.000 0.570 197 R N -0.475 120.102 120.500 0.129 0.000 2.500 197 R HA 0.719 5.058 4.340 -0.001 0.000 0.277 197 R C 0.127 176.487 176.300 0.100 0.000 1.026 197 R CA 0.220 56.375 56.100 0.091 0.000 1.058 197 R CB 1.596 31.919 30.300 0.039 0.000 1.078 197 R HN 0.759 nan 8.270 nan 0.000 0.509 198 T N -0.178 114.386 114.554 0.017 0.000 2.843 198 T HA 0.339 4.688 4.350 -0.001 0.000 0.302 198 T C -1.208 173.457 174.700 -0.058 0.000 1.232 198 T CA -0.498 61.607 62.100 0.008 0.000 1.009 198 T CB 1.935 70.813 68.868 0.017 0.000 1.254 198 T HN 0.461 nan 8.240 nan 0.000 0.504 199 T N 3.337 117.867 114.554 -0.041 0.000 2.807 199 T HA 0.621 4.971 4.350 -0.001 0.000 0.279 199 T C -0.690 173.968 174.700 -0.069 0.000 0.993 199 T CA -0.531 61.533 62.100 -0.060 0.000 0.970 199 T CB 0.592 69.438 68.868 -0.038 0.000 0.950 199 T HN 0.426 nan 8.240 nan 0.000 0.441 200 L N 3.312 124.474 121.223 -0.101 0.000 2.280 200 L HA 0.525 4.864 4.340 -0.001 0.000 0.287 200 L C 0.297 177.124 176.870 -0.073 0.000 1.023 200 L CA -0.836 53.953 54.840 -0.086 0.000 0.819 200 L CB 1.366 43.336 42.059 -0.148 0.000 1.212 200 L HN 0.398 nan 8.230 nan 0.000 0.420 201 K N 5.752 126.125 120.400 -0.046 0.000 2.248 201 K HA 0.584 4.903 4.320 -0.001 0.000 0.281 201 K C -0.694 175.887 176.600 -0.032 0.000 1.054 201 K CA -0.443 55.817 56.287 -0.045 0.000 0.903 201 K CB 0.984 33.460 32.500 -0.040 0.000 1.077 201 K HN 0.646 nan 8.250 nan 0.000 0.474 202 I N 0.354 120.898 120.570 -0.044 0.000 2.957 202 I HA 0.601 4.770 4.170 -0.001 0.000 0.310 202 I C -1.085 174.997 176.117 -0.059 0.000 1.063 202 I CA -1.391 59.892 61.300 -0.028 0.000 1.033 202 I CB 2.080 40.042 38.000 -0.064 0.000 1.230 202 I HN 0.508 nan 8.210 nan 0.000 0.447 203 R N 3.375 123.836 120.500 -0.064 0.000 2.393 203 R HA 0.506 4.845 4.340 -0.001 0.000 0.315 203 R C -0.747 175.465 176.300 -0.147 0.000 0.952 203 R CA -0.521 55.523 56.100 -0.093 0.000 0.842 203 R CB 1.202 31.456 30.300 -0.076 0.000 1.163 203 R HN 0.698 nan 8.270 nan 0.000 0.450 204 R N 4.611 124.946 120.500 -0.275 0.000 2.637 204 R HA 0.155 4.494 4.340 -0.001 0.000 0.269 204 R C -1.646 174.348 176.300 -0.509 0.000 1.089 204 R CA -1.657 54.132 56.100 -0.517 0.000 1.177 204 R CB 0.418 30.105 30.300 -1.022 0.000 1.091 204 R HN 0.588 nan 8.270 nan 0.000 0.540 205 P HA -0.152 nan 4.420 nan 0.000 0.219 205 P C 0.728 177.972 177.300 -0.093 0.000 1.146 205 P CA 1.569 64.584 63.100 -0.141 0.000 0.808 205 P CB -0.067 31.672 31.700 0.064 0.000 0.779 206 F N -1.896 118.096 119.950 0.070 0.000 2.811 206 F HA 0.542 5.068 4.527 -0.001 0.000 0.301 206 F C 1.636 177.462 175.800 0.044 0.000 1.151 206 F CA 0.094 58.125 58.000 0.051 0.000 1.412 206 F CB -1.050 37.971 39.000 0.036 0.000 1.113 206 F HN 0.075 nan 8.300 nan 0.000 0.579 207 G N 0.278 109.072 108.800 -0.009 0.000 2.232 207 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.226 207 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.226 207 G C 0.422 175.340 174.900 0.030 0.000 0.996 207 G CA 0.060 45.179 45.100 0.031 0.000 0.626 207 G HN 0.695 nan 8.290 nan 0.000 0.509 208 T N -0.953 113.643 114.554 0.071 0.000 2.816 208 T HA 0.619 4.969 4.350 -0.001 0.000 0.282 208 T C 0.190 174.890 174.700 -0.000 0.000 0.993 208 T CA 0.526 62.673 62.100 0.080 0.000 0.994 208 T CB 2.115 71.099 68.868 0.192 0.000 1.025 208 T HN 0.254 nan 8.240 nan 0.000 0.529 209 T N 1.825 116.388 114.554 0.014 0.000 2.902 209 T HA 0.610 4.959 4.350 -0.001 0.000 0.283 209 T C -0.386 174.309 174.700 -0.008 0.000 1.009 209 T CA -0.823 61.270 62.100 -0.012 0.000 1.051 209 T CB 0.510 69.372 68.868 -0.009 0.000 0.999 209 T HN 0.471 nan 8.240 nan 0.000 0.474 210 R N 2.422 122.903 120.500 -0.031 0.000 2.651 210 R HA 0.372 4.711 4.340 -0.001 0.000 0.278 210 R C -1.097 175.172 176.300 -0.050 0.000 1.010 210 R CA -0.713 55.367 56.100 -0.034 0.000 0.896 210 R CB 2.021 32.293 30.300 -0.046 0.000 1.211 210 R HN 0.652 nan 8.270 nan 0.000 0.456 211 E N 1.645 121.818 120.200 -0.045 0.000 2.129 211 E HA 0.319 4.668 4.350 -0.001 0.000 0.268 211 E C -0.769 175.791 176.600 -0.066 0.000 0.900 211 E CA -0.591 55.778 56.400 -0.053 0.000 0.755 211 E CB 2.105 31.783 29.700 -0.037 0.000 1.117 211 E HN 0.139 nan 8.360 nan 0.000 0.410 212 V N 4.386 124.242 119.914 -0.096 0.000 2.370 212 V HA 0.298 4.417 4.120 -0.001 0.000 0.279 212 V C 0.307 176.336 176.094 -0.109 0.000 1.029 212 V CA -0.739 61.493 62.300 -0.115 0.000 0.870 212 V CB 1.277 32.991 31.823 -0.181 0.000 0.984 212 V HN 0.552 nan 8.190 nan 0.000 0.451 213 R N 3.713 124.165 120.500 -0.081 0.000 2.202 213 R HA 0.562 4.901 4.340 -0.001 0.000 0.334 213 R C -0.661 175.592 176.300 -0.077 0.000 1.036 213 R CA -0.019 56.040 56.100 -0.069 0.000 0.878 213 R CB 1.435 31.710 30.300 -0.041 0.000 1.067 213 R HN 0.715 nan 8.270 nan 0.000 0.457 214 V N 0.270 120.121 119.914 -0.105 0.000 3.074 214 V HA 0.620 4.739 4.120 -0.001 0.000 0.314 214 V C -0.706 175.323 176.094 -0.108 0.000 1.117 214 V CA -1.130 61.103 62.300 -0.111 0.000 1.014 214 V CB 2.343 34.071 31.823 -0.158 0.000 1.057 214 V HN 0.607 nan 8.190 nan 0.000 0.438 215 K N 1.855 122.215 120.400 -0.068 0.000 2.323 215 K HA 0.413 4.733 4.320 -0.001 0.000 0.259 215 K C -1.231 175.398 176.600 0.047 0.000 0.947 215 K CA -0.623 55.671 56.287 0.012 0.000 0.819 215 K CB 1.330 33.863 32.500 0.055 0.000 1.109 215 K HN 0.825 nan 8.250 nan 0.000 0.429 216 W N 3.036 124.358 121.300 0.037 0.000 2.231 216 W HA 0.080 4.739 4.660 -0.001 0.000 0.341 216 W C 0.629 177.218 176.519 0.116 0.000 1.298 216 W CA -0.101 57.286 57.345 0.071 0.000 1.266 216 W CB 0.419 29.935 29.460 0.093 0.000 1.172 216 W HN 0.334 nan 8.180 nan 0.000 0.568 217 R N 3.377 124.131 120.500 0.423 0.000 2.272 217 R HA 0.105 4.444 4.340 -0.001 0.000 0.334 217 R C -0.938 175.601 176.300 0.398 0.000 1.117 217 R CA -0.598 55.707 56.100 0.341 0.000 0.966 217 R CB 0.078 30.581 30.300 0.339 0.000 1.049 217 R HN 0.381 nan 8.270 nan 0.000 0.477 218 Y N 2.684 123.094 120.300 0.184 0.000 2.330 218 Y HA 0.291 4.840 4.550 -0.002 0.000 0.336 218 Y C -0.600 175.351 175.900 0.084 0.000 1.036 218 Y CA -0.759 57.415 58.100 0.123 0.000 1.125 218 Y CB 1.237 39.751 38.460 0.090 0.000 1.194 218 Y HN 0.162 nan 8.280 nan 0.000 0.469 219 V N 9.416 129.037 119.914 -0.489 0.000 2.326 219 V HA 0.333 4.453 4.120 -0.001 0.000 0.281 219 V C -2.132 173.458 176.094 -0.840 0.000 1.015 219 V CA -1.988 60.048 62.300 -0.441 0.000 0.823 219 V CB 1.140 32.835 31.823 -0.214 0.000 1.009 219 V HN 0.704 nan 8.190 nan 0.000 0.436 220 P HA 0.091 nan 4.420 nan 0.000 0.270 220 P C -0.335 176.830 177.300 -0.225 0.000 1.223 220 P CA -0.221 62.606 63.100 -0.456 0.000 0.785 220 P CB 1.023 32.691 31.700 -0.054 0.000 0.923 221 E N 0.511 120.648 120.200 -0.105 0.000 2.376 221 E HA 0.224 4.573 4.350 -0.001 0.000 0.266 221 E C 1.284 177.867 176.600 -0.028 0.000 1.009 221 E CA 0.452 56.822 56.400 -0.050 0.000 0.902 221 E CB -0.159 29.538 29.700 -0.004 0.000 0.972 221 E HN 0.565 nan 8.360 nan 0.000 0.439 222 G N 2.907 111.693 108.800 -0.023 0.000 2.833 222 G HA2 0.049 4.009 3.960 -0.001 0.000 0.210 222 G HA3 0.049 4.009 3.960 -0.001 0.000 0.210 222 G C -0.301 174.597 174.900 -0.003 0.000 1.139 222 G CA -0.061 45.031 45.100 -0.013 0.000 0.771 222 G HN 0.388 nan 8.290 nan 0.000 0.535 223 V N 2.385 122.303 119.914 0.006 0.000 2.304 223 V HA 0.506 4.626 4.120 -0.001 0.000 0.262 223 V C 1.157 177.259 176.094 0.012 0.000 1.061 223 V CA -0.922 61.385 62.300 0.012 0.000 0.872 223 V CB 0.318 32.163 31.823 0.037 0.000 1.077 223 V HN 0.226 nan 8.190 nan 0.000 0.480 224 G N 3.422 112.225 108.800 0.006 0.000 2.187 224 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.239 224 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.239 224 G C 0.116 175.023 174.900 0.011 0.000 1.200 224 G CA -0.084 45.021 45.100 0.008 0.000 0.888 224 G HN 0.736 nan 8.290 nan 0.000 0.482 225 D N 2.125 122.533 120.400 0.014 0.000 2.417 225 D HA -0.021 4.619 4.640 -0.001 0.000 0.250 225 D C 1.617 177.926 176.300 0.015 0.000 1.166 225 D CA -0.312 53.697 54.000 0.016 0.000 0.881 225 D CB 0.846 41.656 40.800 0.018 0.000 1.164 225 D HN 0.234 nan 8.370 nan 0.000 0.467 226 L N 3.904 125.137 121.223 0.018 0.000 2.081 226 L HA -0.265 4.074 4.340 -0.001 0.000 0.212 226 L C 2.398 179.277 176.870 0.015 0.000 1.080 226 L CA 1.565 56.415 54.840 0.017 0.000 0.754 226 L CB -0.278 41.795 42.059 0.023 0.000 0.893 226 L HN 0.558 nan 8.230 nan 0.000 0.433 227 A N -0.731 122.100 122.820 0.018 0.000 1.908 227 A HA -0.240 4.080 4.320 -0.001 0.000 0.218 227 A C 2.211 179.799 177.584 0.008 0.000 1.181 227 A CA 2.452 54.497 52.037 0.014 0.000 0.627 227 A CB -0.913 18.097 19.000 0.015 0.000 0.818 227 A HN 0.459 nan 8.150 nan 0.000 0.445 228 T N -0.160 114.399 114.554 0.008 0.000 2.867 228 T HA -0.002 4.347 4.350 -0.001 0.000 0.268 228 T C 1.672 176.374 174.700 0.004 0.000 1.057 228 T CA 1.458 63.562 62.100 0.005 0.000 1.136 228 T CB -0.277 68.595 68.868 0.007 0.000 0.874 228 T HN 0.458 nan 8.240 nan 0.000 0.466 229 I N 0.853 121.426 120.570 0.005 0.000 2.867 229 I HA 0.092 4.262 4.170 -0.001 0.000 0.265 229 I C 2.842 178.961 176.117 0.003 0.000 1.162 229 I CA 0.321 61.623 61.300 0.003 0.000 1.471 229 I CB -0.441 37.560 38.000 0.002 0.000 1.123 229 I HN 0.128 nan 8.210 nan 0.000 0.440 230 A N 2.659 125.482 122.820 0.005 0.000 1.923 230 A HA -0.231 4.089 4.320 -0.001 0.000 0.222 230 A C 0.300 177.885 177.584 0.003 0.000 1.258 230 A CA 2.578 54.618 52.037 0.005 0.000 0.670 230 A CB -2.329 16.675 19.000 0.007 0.000 0.834 230 A HN 0.326 nan 8.150 nan 0.000 0.470 231 P HA -0.137 nan 4.420 nan 0.000 0.219 231 P C 1.361 178.661 177.300 -0.000 0.000 1.146 231 P CA 2.003 65.103 63.100 -0.000 0.000 0.808 231 P CB -0.346 31.354 31.700 -0.001 0.000 0.779 232 S N -1.414 114.286 115.700 -0.000 0.000 2.575 232 S HA 0.102 4.571 4.470 -0.001 0.000 0.215 232 S C 0.977 175.576 174.600 -0.001 0.000 0.966 232 S CA -0.427 57.773 58.200 -0.001 0.000 0.911 232 S CB -0.978 62.221 63.200 -0.001 0.000 0.780 232 S HN 0.025 nan 8.310 nan 0.000 0.514 233 I N 3.715 124.285 120.570 -0.001 0.000 2.505 233 I HA 0.210 4.379 4.170 -0.001 0.000 0.287 233 I C 0.336 176.453 176.117 -0.001 0.000 1.104 233 I CA -0.237 61.062 61.300 -0.001 0.000 1.387 233 I CB 0.318 38.318 38.000 0.000 0.000 1.404 233 I HN 0.076 nan 8.210 nan 0.000 0.528 234 R N 4.987 125.486 120.500 -0.002 0.000 2.598 234 R HA 0.632 4.971 4.340 -0.001 0.000 0.279 234 R C -0.256 176.043 176.300 -0.002 0.000 0.984 234 R CA -0.992 55.107 56.100 -0.002 0.000 0.999 234 R CB 1.302 31.600 30.300 -0.002 0.000 1.114 234 R HN 0.655 nan 8.270 nan 0.000 0.493 235 A N 3.801 126.621 122.820 -0.001 0.000 2.531 235 A HA 0.264 4.583 4.320 -0.001 0.000 0.236 235 A C -1.540 176.043 177.584 -0.002 0.000 1.062 235 A CA -0.739 51.297 52.037 -0.001 0.000 0.760 235 A CB -0.704 18.296 19.000 -0.001 0.000 0.995 235 A HN 0.484 nan 8.150 nan 0.000 0.501 236 P HA 0.215 nan 4.420 nan 0.000 0.271 236 P C -0.999 176.299 177.300 -0.003 0.000 1.216 236 P CA 0.015 63.113 63.100 -0.003 0.000 0.776 236 P CB 0.700 32.398 31.700 -0.004 0.000 0.881 237 Q N 2.026 121.824 119.800 -0.003 0.000 2.356 237 Q HA 0.582 4.921 4.340 -0.001 0.000 0.270 237 Q C -0.910 175.088 176.000 -0.003 0.000 1.058 237 Q CA -1.053 54.748 55.803 -0.003 0.000 0.802 237 Q CB 1.527 30.264 28.738 -0.003 0.000 1.303 237 Q HN 0.280 nan 8.270 nan 0.000 0.444 285 Y N 1.023 121.427 120.300 0.173 0.000 2.676 285 Y HA 0.331 4.880 4.550 -0.001 0.000 0.331 285 Y C 1.014 176.998 175.900 0.141 0.000 1.128 285 Y CA -0.456 57.733 58.100 0.148 0.000 1.360 285 Y CB 0.370 38.854 38.460 0.040 0.000 1.176 285 Y HN 0.298 nan 8.280 nan 0.000 0.518 286 N N 1.036 119.881 118.700 0.242 0.000 2.372 286 N HA 0.298 5.037 4.740 -0.001 0.000 0.291 286 N C -0.692 174.911 175.510 0.156 0.000 1.024 286 N CA -0.447 52.711 53.050 0.180 0.000 0.873 286 N CB 1.189 39.757 38.487 0.134 0.000 1.206 286 N HN 0.174 nan 8.380 nan 0.000 0.486 287 I N 2.253 122.912 120.570 0.149 0.000 2.662 287 I HA 0.006 4.175 4.170 -0.001 0.000 0.285 287 I C 1.521 177.689 176.117 0.085 0.000 1.161 287 I CA 0.769 62.152 61.300 0.139 0.000 1.415 287 I CB 0.232 38.315 38.000 0.138 0.000 1.385 287 I HN 0.869 nan 8.210 nan 0.000 0.552 288 G N 3.889 112.730 108.800 0.069 0.000 2.175 288 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.244 288 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.244 288 G C 0.445 175.346 174.900 0.003 0.000 0.982 288 G CA 0.187 45.299 45.100 0.019 0.000 0.641 288 G HN 0.702 nan 8.290 nan 0.000 0.527 289 S N 0.360 116.078 115.700 0.031 0.000 2.544 289 S HA 0.403 4.872 4.470 -0.001 0.000 0.290 289 S C 1.938 176.532 174.600 -0.010 0.000 1.276 289 S CA 1.176 59.388 58.200 0.020 0.000 1.075 289 S CB 0.603 63.832 63.200 0.047 0.000 0.849 289 S HN 0.465 nan 8.310 nan 0.000 0.494 290 T N 4.501 119.041 114.554 -0.023 0.000 2.652 290 T HA -0.111 4.239 4.350 -0.001 0.000 0.267 290 T C 1.054 175.752 174.700 -0.003 0.000 1.039 290 T CA 1.805 63.882 62.100 -0.037 0.000 1.153 290 T CB -0.409 68.431 68.868 -0.046 0.000 0.863 290 T HN 0.679 nan 8.240 nan 0.000 0.428 291 D N 0.102 120.504 120.400 0.004 0.000 2.234 291 D HA 0.246 4.885 4.640 -0.001 0.000 0.205 291 D C 1.468 177.756 176.300 -0.021 0.000 0.962 291 D CA 1.056 55.066 54.000 0.017 0.000 0.855 291 D CB -0.366 40.437 40.800 0.005 0.000 0.951 291 D HN 0.530 nan 8.370 nan 0.000 0.500 292 G N 0.655 109.422 108.800 -0.056 0.000 2.542 292 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.235 292 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.235 292 G C 0.124 174.894 174.900 -0.217 0.000 1.286 292 G CA 0.010 45.010 45.100 -0.167 0.000 0.904 292 G HN 0.333 nan 8.290 nan 0.000 0.577 293 F N -1.362 118.397 119.950 -0.318 0.000 2.856 293 F HA 0.650 5.176 4.527 -0.001 0.000 0.338 293 F C 0.326 175.780 175.800 -0.576 0.000 1.100 293 F CA -0.816 56.839 58.000 -0.575 0.000 1.150 293 F CB -0.081 38.295 39.000 -1.040 0.000 1.101 293 F HN 0.354 nan 8.300 nan 0.000 0.548 294 L N 4.803 125.646 121.223 -0.632 0.000 2.292 294 L HA 0.472 4.811 4.340 -0.001 0.000 0.284 294 L C -1.950 174.774 176.870 -0.245 0.000 1.065 294 L CA -1.872 52.692 54.840 -0.460 0.000 0.806 294 L CB 0.852 42.684 42.059 -0.378 0.000 1.175 294 L HN -0.098 nan 8.230 nan 0.000 0.431 295 P HA 0.126 nan 4.420 nan 0.000 0.276 295 P C -0.483 176.700 177.300 -0.195 0.000 1.252 295 P CA -0.465 62.563 63.100 -0.120 0.000 0.802 295 P CB 1.096 32.782 31.700 -0.023 0.000 1.035 296 V N -0.136 119.600 119.914 -0.297 0.000 2.872 296 V HA -0.029 4.090 4.120 -0.001 0.000 0.307 296 V C 1.807 177.782 176.094 -0.198 0.000 1.072 296 V CA 0.058 62.081 62.300 -0.462 0.000 1.148 296 V CB -0.673 30.624 31.823 -0.876 0.000 0.954 296 V HN 0.586 nan 8.190 nan 0.000 0.490 297 I N 0.539 121.075 120.570 -0.057 0.000 3.001 297 I HA 0.524 4.694 4.170 -0.001 0.000 0.268 297 I C 0.885 177.008 176.117 0.009 0.000 1.267 297 I CA 0.929 62.243 61.300 0.023 0.000 1.472 297 I CB -0.687 37.370 38.000 0.095 0.000 1.089 297 I HN 0.997 nan 8.210 nan 0.000 0.468 298 G N 1.252 110.027 108.800 -0.043 0.000 2.341 298 G HA2 0.276 4.236 3.960 -0.001 0.000 0.299 298 G HA3 0.276 4.236 3.960 -0.001 0.000 0.299 298 G C -3.094 171.769 174.900 -0.062 0.000 1.274 298 G CA -0.679 44.404 45.100 -0.028 0.000 0.853 298 G HN -0.047 nan 8.290 nan 0.000 0.493 299 P HA 0.281 nan 4.420 nan 0.000 0.262 299 P C 0.036 177.321 177.300 -0.024 0.000 1.199 299 P CA 0.140 63.222 63.100 -0.030 0.000 0.763 299 P CB 0.972 32.670 31.700 -0.004 0.000 0.790 300 V N 5.598 125.474 119.914 -0.063 0.000 2.488 300 V HA -0.006 4.113 4.120 -0.001 0.000 0.277 300 V C 1.870 177.999 176.094 0.059 0.000 1.046 300 V CA 0.056 62.334 62.300 -0.036 0.000 0.986 300 V CB 0.610 32.345 31.823 -0.145 0.000 0.989 300 V HN 0.521 nan 8.190 nan 0.000 0.475 301 I N 1.350 122.009 120.570 0.150 0.000 3.645 301 I HA 0.465 4.634 4.170 -0.001 0.000 0.300 301 I C 0.069 176.380 176.117 0.324 0.000 1.260 301 I CA 0.233 61.645 61.300 0.187 0.000 1.365 301 I CB 0.141 38.246 38.000 0.174 0.000 1.077 301 I HN 0.592 nan 8.210 nan 0.000 0.439 302 W N 1.388 122.756 121.300 0.113 0.000 3.319 302 W HA 0.497 5.157 4.660 -0.001 0.000 0.300 302 W C -2.042 174.595 176.519 0.196 0.000 1.244 302 W CA -0.683 56.740 57.345 0.131 0.000 1.193 302 W CB 0.694 30.235 29.460 0.135 0.000 1.359 302 W HN 0.281 nan 8.180 nan 0.000 0.568 303 E N 1.070 120.662 120.200 -1.013 0.000 2.445 303 E HA 0.557 4.907 4.350 -0.001 0.000 0.279 303 E C -0.915 174.865 176.600 -1.366 0.000 1.018 303 E CA -0.485 55.391 56.400 -0.873 0.000 0.816 303 E CB 1.697 31.221 29.700 -0.295 0.000 1.356 303 E HN 0.166 nan 8.360 nan 0.000 0.462 304 S N -0.424 114.837 115.700 -0.731 0.000 2.527 304 S HA 0.012 4.482 4.470 -0.001 0.000 0.227 304 S C 0.686 175.181 174.600 -0.174 0.000 1.059 304 S CA 0.896 58.827 58.200 -0.448 0.000 0.919 304 S CB -0.435 62.626 63.200 -0.232 0.000 0.805 304 S HN 0.670 nan 8.310 nan 0.000 0.500 305 E N -0.012 120.121 120.200 -0.111 0.000 3.343 305 E HA -0.227 4.122 4.350 -0.001 0.000 0.281 305 E C 0.858 177.457 176.600 -0.002 0.000 0.914 305 E CA 0.637 57.011 56.400 -0.042 0.000 0.884 305 E CB -1.732 27.933 29.700 -0.058 0.000 1.445 305 E HN 0.659 nan 8.360 nan 0.000 0.468 306 G N 0.544 109.355 108.800 0.019 0.000 2.679 306 G HA2 0.077 4.036 3.960 -0.001 0.000 0.158 306 G HA3 0.077 4.036 3.960 -0.001 0.000 0.158 306 G C 0.936 175.873 174.900 0.062 0.000 1.702 306 G CA 0.289 45.419 45.100 0.050 0.000 1.041 306 G HN 0.071 nan 8.290 nan 0.000 0.507 307 L N -0.903 120.378 121.223 0.096 0.000 2.056 307 L HA 0.244 4.583 4.340 -0.001 0.000 0.207 307 L C 0.879 177.702 176.870 -0.079 0.000 1.078 307 L CA 1.010 55.854 54.840 0.007 0.000 0.749 307 L CB -0.440 41.621 42.059 0.004 0.000 0.901 307 L HN 0.226 nan 8.230 nan 0.000 0.433 308 F N -1.048 118.929 119.950 0.045 0.000 2.403 308 F HA 0.373 4.900 4.527 -0.001 0.000 0.326 308 F C 0.849 176.665 175.800 0.027 0.000 1.081 308 F CA -0.652 57.373 58.000 0.042 0.000 1.041 308 F CB 0.467 39.499 39.000 0.053 0.000 1.234 308 F HN -0.237 nan 8.300 nan 0.000 0.503 309 R N 1.880 122.524 120.500 0.240 0.000 2.198 309 R HA 0.724 5.064 4.340 -0.001 0.000 0.339 309 R C -1.416 175.033 176.300 0.248 0.000 1.020 309 R CA -0.201 56.022 56.100 0.205 0.000 0.864 309 R CB 0.208 30.632 30.300 0.206 0.000 1.105 309 R HN 0.808 nan 8.270 nan 0.000 0.463 310 A N 4.186 127.130 122.820 0.207 0.000 2.539 310 A HA 0.671 4.990 4.320 -0.001 0.000 0.296 310 A C -1.836 175.906 177.584 0.264 0.000 1.073 310 A CA -0.715 51.454 52.037 0.221 0.000 0.700 310 A CB 1.264 20.310 19.000 0.078 0.000 1.296 310 A HN 0.793 nan 8.150 nan 0.000 0.405 311 Y N -1.403 119.120 120.300 0.372 0.000 2.750 311 Y HA 0.801 5.351 4.550 -0.001 0.000 0.335 311 Y C -1.692 174.431 175.900 0.370 0.000 1.252 311 Y CA -1.692 56.551 58.100 0.238 0.000 1.064 311 Y CB 0.759 39.269 38.460 0.083 0.000 1.321 311 Y HN 0.555 nan 8.280 nan 0.000 0.451 312 I N 2.034 122.995 120.570 0.651 0.000 2.466 312 I HA 0.595 4.764 4.170 -0.001 0.000 0.289 312 I C -0.367 176.007 176.117 0.427 0.000 1.026 312 I CA -0.596 60.954 61.300 0.417 0.000 1.078 312 I CB 1.974 40.220 38.000 0.410 0.000 1.249 312 I HN 0.771 nan 8.210 nan 0.000 0.429 313 S N 3.402 119.300 115.700 0.331 0.000 2.874 313 S HA 0.783 5.253 4.470 -0.001 0.000 0.318 313 S C -0.721 173.967 174.600 0.147 0.000 1.109 313 S CA -0.377 57.968 58.200 0.242 0.000 0.878 313 S CB 1.796 65.171 63.200 0.290 0.000 1.307 313 S HN 0.704 nan 8.310 nan 0.000 0.592 314 S N -0.124 115.642 115.700 0.111 0.000 2.599 314 S HA 0.818 5.287 4.470 -0.001 0.000 0.287 314 S C -1.372 173.278 174.600 0.084 0.000 1.105 314 S CA -0.675 57.576 58.200 0.086 0.000 0.899 314 S CB 1.399 64.633 63.200 0.056 0.000 1.100 314 S HN 0.718 nan 8.310 nan 0.000 0.482 315 V N 1.299 121.271 119.914 0.097 0.000 2.656 315 V HA 0.690 4.810 4.120 -0.001 0.000 0.307 315 V C -0.909 175.245 176.094 0.100 0.000 1.051 315 V CA -0.153 62.209 62.300 0.103 0.000 0.893 315 V CB 2.288 34.186 31.823 0.124 0.000 0.999 315 V HN 1.128 nan 8.190 nan 0.000 0.426 316 T N 5.592 120.186 114.554 0.067 0.000 2.770 316 T HA 0.380 4.730 4.350 -0.001 0.000 0.283 316 T C -0.279 174.463 174.700 0.071 0.000 0.988 316 T CA -0.501 61.617 62.100 0.031 0.000 0.957 316 T CB 1.046 69.918 68.868 0.005 0.000 0.930 316 T HN 0.948 nan 8.240 nan 0.000 0.443 317 D N 2.808 123.270 120.400 0.102 0.000 2.132 317 D HA 0.179 4.818 4.640 -0.001 0.000 0.265 317 D C 1.699 178.034 176.300 0.059 0.000 1.194 317 D CA 0.041 54.110 54.000 0.115 0.000 0.988 317 D CB -0.341 40.573 40.800 0.189 0.000 1.167 317 D HN 0.514 nan 8.370 nan 0.000 0.517 318 G N -1.658 107.173 108.800 0.052 0.000 2.510 318 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.212 318 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.212 318 G C 0.703 175.618 174.900 0.024 0.000 1.151 318 G CA 0.102 45.221 45.100 0.032 0.000 0.817 318 G HN 0.388 nan 8.290 nan 0.000 0.534 319 D N 0.574 120.992 120.400 0.029 0.000 2.371 319 D HA 0.220 4.859 4.640 -0.001 0.000 0.234 319 D C 1.969 178.272 176.300 0.004 0.000 1.049 319 D CA 0.873 54.884 54.000 0.018 0.000 0.907 319 D CB -0.308 40.507 40.800 0.024 0.000 0.891 319 D HN 0.391 nan 8.370 nan 0.000 0.531 320 G N 0.526 109.326 108.800 0.001 0.000 2.179 320 G HA2 -0.347 3.613 3.960 -0.001 0.000 0.260 320 G HA3 -0.347 3.613 3.960 -0.001 0.000 0.260 320 G C 0.473 175.344 174.900 -0.048 0.000 0.977 320 G CA 0.172 45.263 45.100 -0.016 0.000 0.641 320 G HN 0.446 nan 8.290 nan 0.000 0.533 321 K N 1.203 121.560 120.400 -0.072 0.000 2.249 321 K HA 0.525 4.844 4.320 -0.001 0.000 0.280 321 K C 0.181 176.575 176.600 -0.344 0.000 1.033 321 K CA -0.093 56.087 56.287 -0.178 0.000 0.946 321 K CB 0.379 32.774 32.500 -0.176 0.000 1.005 321 K HN 0.149 nan 8.250 nan 0.000 0.469 322 S N 2.610 118.104 115.700 -0.343 0.000 2.616 322 S HA 0.334 4.803 4.470 -0.001 0.000 0.277 322 S C -0.894 173.391 174.600 -0.525 0.000 1.234 322 S CA -0.728 57.284 58.200 -0.314 0.000 1.028 322 S CB 0.636 63.760 63.200 -0.126 0.000 0.988 322 S HN 0.531 nan 8.310 nan 0.000 0.522 323 H N 1.292 120.372 119.070 0.018 0.000 2.840 323 H HA 0.263 4.818 4.556 -0.001 0.000 0.340 323 H C -0.771 174.569 175.328 0.020 0.000 1.004 323 H CA -0.634 55.423 56.048 0.015 0.000 1.288 323 H CB 1.007 30.776 29.762 0.012 0.000 1.607 323 H HN 0.466 nan 8.280 nan 0.000 0.522 324 K N 2.605 123.076 120.400 0.118 0.000 2.402 324 K HA 0.250 4.569 4.320 -0.001 0.000 0.285 324 K C -0.177 176.457 176.600 0.057 0.000 1.054 324 K CA -0.163 56.172 56.287 0.080 0.000 1.001 324 K CB 0.786 33.323 32.500 0.062 0.000 0.946 324 K HN 0.162 nan 8.250 nan 0.000 0.473 325 V N 2.345 122.283 119.914 0.039 0.000 2.513 325 V HA 0.385 4.505 4.120 -0.001 0.000 0.299 325 V C 0.573 176.572 176.094 -0.158 0.000 1.035 325 V CA -0.874 61.408 62.300 -0.030 0.000 0.889 325 V CB 1.876 33.711 31.823 0.021 0.000 0.988 325 V HN 0.913 nan 8.190 nan 0.000 0.440 326 G N 2.469 111.018 108.800 -0.419 0.000 2.389 326 G HA2 0.623 4.582 3.960 -0.001 0.000 0.317 326 G HA3 0.623 4.582 3.960 -0.001 0.000 0.317 326 G C -1.459 173.038 174.900 -0.673 0.000 1.137 326 G CA -0.261 44.261 45.100 -0.965 0.000 0.870 326 G HN 0.505 nan 8.290 nan 0.000 0.496 327 F N 2.500 121.984 119.950 -0.776 0.000 2.551 327 F HA 0.760 5.287 4.527 -0.001 0.000 0.316 327 F C -1.093 174.570 175.800 -0.227 0.000 1.089 327 F CA -1.284 56.349 58.000 -0.611 0.000 0.915 327 F CB 2.039 40.280 39.000 -1.265 0.000 1.186 327 F HN 0.420 nan 8.300 nan 0.000 0.456 328 L N 6.539 127.223 121.223 -0.900 0.000 2.513 328 L HA 0.530 4.869 4.340 -0.001 0.000 0.261 328 L C -1.826 174.651 176.870 -0.654 0.000 0.945 328 L CA -0.542 54.018 54.840 -0.467 0.000 0.848 328 L CB 2.124 44.086 42.059 -0.162 0.000 1.334 328 L HN 0.910 nan 8.230 nan 0.000 0.407 329 R N 5.006 125.347 120.500 -0.265 0.000 2.445 329 R HA 0.669 5.008 4.340 -0.001 0.000 0.308 329 R C -1.202 175.129 176.300 0.051 0.000 0.961 329 R CA -0.588 55.427 56.100 -0.142 0.000 0.862 329 R CB 1.344 31.652 30.300 0.014 0.000 1.144 329 R HN 0.710 nan 8.270 nan 0.000 0.447 330 I N 8.204 128.753 120.570 -0.036 0.000 2.347 330 I HA 0.254 4.423 4.170 -0.001 0.000 0.283 330 I C -1.445 174.571 176.117 -0.169 0.000 1.058 330 I CA -2.208 59.055 61.300 -0.062 0.000 1.202 330 I CB 1.900 39.728 38.000 -0.287 0.000 1.386 330 I HN 0.560 nan 8.210 nan 0.000 0.475 331 P HA -0.059 nan 4.420 nan 0.000 0.219 331 P C 0.614 177.828 177.300 -0.143 0.000 1.150 331 P CA 1.162 64.195 63.100 -0.112 0.000 0.814 331 P CB 0.625 32.267 31.700 -0.097 0.000 0.787 332 T N -2.564 111.849 114.554 -0.234 0.000 2.830 332 T HA 0.377 4.727 4.350 -0.001 0.000 0.322 332 T C -1.266 173.261 174.700 -0.288 0.000 1.501 332 T CA -0.449 61.531 62.100 -0.200 0.000 1.036 332 T CB 0.343 69.156 68.868 -0.092 0.000 1.379 332 T HN -0.232 nan 8.240 nan 0.000 0.493 333 Y N 1.290 121.680 120.300 0.150 0.000 2.555 333 Y HA 0.445 4.995 4.550 -0.001 0.000 0.259 333 Y C 1.551 177.583 175.900 0.220 0.000 1.179 333 Y CA -0.396 57.901 58.100 0.328 0.000 1.230 333 Y CB 0.951 39.557 38.460 0.244 0.000 1.146 333 Y HN 0.448 nan 8.280 nan 0.000 0.526 334 S N 1.935 117.681 115.700 0.077 0.000 2.497 334 S HA 0.051 4.520 4.470 -0.001 0.000 0.176 334 S C 1.213 175.616 174.600 -0.328 0.000 1.445 334 S CA -0.833 57.289 58.200 -0.130 0.000 1.092 334 S CB -0.505 62.624 63.200 -0.117 0.000 1.216 334 S HN 0.578 nan 8.310 nan 0.000 0.486 335 W N 2.964 123.923 121.300 -0.568 0.000 2.305 335 W HA -0.283 4.376 4.660 -0.001 0.000 0.308 335 W C 0.697 176.746 176.519 -0.783 0.000 1.226 335 W CA 1.486 58.375 57.345 -0.759 0.000 1.253 335 W CB -1.328 27.470 29.460 -1.103 0.000 1.146 335 W HN 0.579 nan 8.180 nan 0.000 0.507 336 Q N 0.859 119.908 119.800 -1.252 0.000 2.364 336 Q HA -0.126 4.213 4.340 -0.001 0.000 0.209 336 Q C 1.241 176.934 176.000 -0.512 0.000 0.977 336 Q CA 1.886 57.005 55.803 -1.140 0.000 0.885 336 Q CB -0.709 27.424 28.738 -1.008 0.000 0.941 336 Q HN 0.349 nan 8.270 nan 0.000 0.464 337 D N -0.555 119.604 120.400 -0.402 0.000 2.349 337 D HA 0.084 4.724 4.640 -0.001 0.000 0.214 337 D C 0.080 176.296 176.300 -0.140 0.000 1.063 337 D CA 0.076 53.955 54.000 -0.201 0.000 0.847 337 D CB 0.106 40.801 40.800 -0.175 0.000 0.933 337 D HN 0.333 nan 8.370 nan 0.000 0.513 338 M N 1.113 120.603 119.600 -0.182 0.000 2.249 338 M HA -0.002 4.477 4.480 -0.001 0.000 0.340 338 M C 0.587 176.861 176.300 -0.043 0.000 1.166 338 M CA 0.519 55.735 55.300 -0.139 0.000 1.115 338 M CB 0.563 33.032 32.600 -0.217 0.000 1.606 338 M HN -0.206 nan 8.290 nan 0.000 0.448 339 E N 2.636 122.802 120.200 -0.056 0.000 2.558 339 E HA -0.110 4.239 4.350 -0.001 0.000 0.255 339 E C -0.544 176.056 176.600 0.000 0.000 0.968 339 E CA 0.411 56.797 56.400 -0.023 0.000 0.939 339 E CB 0.092 29.774 29.700 -0.031 0.000 0.921 339 E HN 0.552 nan 8.360 nan 0.000 0.477 340 D N 1.737 122.149 120.400 0.019 0.000 2.775 340 D HA -0.236 4.403 4.640 -0.001 0.000 0.235 340 D C -0.722 175.609 176.300 0.053 0.000 1.120 340 D CA 0.732 54.742 54.000 0.017 0.000 0.708 340 D CB -1.539 39.261 40.800 -0.001 0.000 1.084 340 D HN 0.267 nan 8.370 nan 0.000 0.434 341 F N 1.926 121.840 119.950 -0.061 0.000 2.411 341 F HA 0.324 4.850 4.527 -0.001 0.000 0.355 341 F C 0.177 175.956 175.800 -0.035 0.000 1.117 341 F CA -1.070 56.900 58.000 -0.051 0.000 1.139 341 F CB 0.926 39.894 39.000 -0.054 0.000 1.120 341 F HN -0.188 nan 8.300 nan 0.000 0.493 342 D N 9.183 129.119 120.400 -0.772 0.000 2.412 342 D HA 0.214 4.853 4.640 -0.001 0.000 0.224 342 D C -1.756 173.876 176.300 -1.114 0.000 1.093 342 D CA -2.079 51.503 54.000 -0.697 0.000 0.850 342 D CB 1.939 42.537 40.800 -0.336 0.000 1.046 342 D HN 0.350 nan 8.370 nan 0.000 0.507 343 P HA -0.094 nan 4.420 nan 0.000 0.221 343 P C 0.724 177.879 177.300 -0.242 0.000 1.145 343 P CA 0.550 63.303 63.100 -0.579 0.000 0.795 343 P CB 0.405 32.000 31.700 -0.175 0.000 0.775 344 S N -0.772 114.787 115.700 -0.235 0.000 2.634 344 S HA 0.316 4.785 4.470 -0.001 0.000 0.221 344 S C 1.095 175.627 174.600 -0.112 0.000 0.952 344 S CA -0.052 58.076 58.200 -0.120 0.000 0.930 344 S CB 0.031 63.175 63.200 -0.094 0.000 0.780 344 S HN 0.294 nan 8.310 nan 0.000 0.498 345 G N 2.337 111.039 108.800 -0.163 0.000 2.735 345 G HA2 0.598 4.557 3.960 -0.001 0.000 0.301 345 G HA3 0.598 4.557 3.960 -0.001 0.000 0.301 345 G C -2.973 171.883 174.900 -0.073 0.000 1.279 345 G CA -1.778 43.257 45.100 -0.109 0.000 1.019 345 G HN 0.029 nan 8.290 nan 0.000 0.497 346 P HA 0.174 nan 4.420 nan 0.000 0.266 346 P C -2.436 174.783 177.300 -0.135 0.000 1.195 346 P CA -0.620 62.431 63.100 -0.082 0.000 0.768 346 P CB 0.474 32.142 31.700 -0.053 0.000 0.838 347 P HA 0.050 nan 4.420 nan 0.000 0.269 347 P C -1.715 175.228 177.300 -0.595 0.000 1.215 347 P CA -1.253 61.392 63.100 -0.760 0.000 0.780 347 P CB -0.254 30.194 31.700 -2.088 0.000 0.898 348 P HA -0.161 nan 4.420 nan 0.000 0.218 348 P C 1.288 178.778 177.300 0.317 0.000 1.148 348 P CA 1.713 64.889 63.100 0.126 0.000 0.822 348 P CB -0.497 31.289 31.700 0.143 0.000 0.784 349 W N 1.033 122.489 121.300 0.259 0.000 2.465 349 W HA 0.065 4.724 4.660 -0.001 0.000 0.268 349 W C 1.667 178.276 176.519 0.150 0.000 1.242 349 W CA 0.562 58.024 57.345 0.195 0.000 1.248 349 W CB -1.636 27.874 29.460 0.083 0.000 1.118 349 W HN -0.010 nan 8.180 nan 0.000 0.587 350 E N 0.659 120.865 120.200 0.009 0.000 2.112 350 E HA -0.200 4.149 4.350 -0.001 0.000 0.190 350 E C 2.041 178.689 176.600 0.080 0.000 0.979 350 E CA 1.263 57.707 56.400 0.073 0.000 0.814 350 E CB -0.241 29.427 29.700 -0.052 0.000 0.762 350 E HN 0.484 nan 8.360 nan 0.000 0.460 351 E N 0.139 120.402 120.200 0.105 0.000 2.150 351 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 351 E C 1.745 178.347 176.600 0.003 0.000 0.985 351 E CA 0.508 56.975 56.400 0.110 0.000 0.814 351 E CB -0.036 29.813 29.700 0.248 0.000 0.752 351 E HN 0.153 nan 8.360 nan 0.000 0.466 352 F N 1.215 121.052 119.950 -0.189 0.000 2.075 352 F HA -0.170 4.356 4.527 -0.001 0.000 0.297 352 F C 2.185 177.820 175.800 -0.275 0.000 1.113 352 F CA 1.734 59.467 58.000 -0.446 0.000 1.218 352 F CB -0.591 38.185 39.000 -0.373 0.000 0.984 352 F HN 0.086 nan 8.300 nan 0.000 0.472 353 A N 0.616 123.452 122.820 0.028 0.000 1.917 353 A HA -0.240 4.080 4.320 -0.001 0.000 0.219 353 A C 2.277 179.766 177.584 -0.159 0.000 1.182 353 A CA 1.956 53.945 52.037 -0.080 0.000 0.633 353 A CB -0.669 18.308 19.000 -0.037 0.000 0.819 353 A HN 0.332 nan 8.150 nan 0.000 0.448 354 K N -0.197 120.132 120.400 -0.119 0.000 2.009 354 K HA -0.137 4.182 4.320 -0.001 0.000 0.210 354 K C 1.896 178.368 176.600 -0.215 0.000 1.049 354 K CA 1.374 57.593 56.287 -0.114 0.000 0.929 354 K CB -0.790 31.681 32.500 -0.048 0.000 0.714 354 K HN 0.491 nan 8.250 nan 0.000 0.440 355 I N 1.706 122.067 120.570 -0.348 0.000 2.163 355 I HA -0.251 3.919 4.170 -0.001 0.000 0.243 355 I C 2.425 178.078 176.117 -0.772 0.000 1.085 355 I CA 1.072 62.014 61.300 -0.598 0.000 1.347 355 I CB -1.058 36.471 38.000 -0.785 0.000 1.044 355 I HN 0.021 nan 8.210 nan 0.000 0.408 356 I N 0.793 120.971 120.570 -0.653 0.000 2.194 356 I HA -0.305 3.864 4.170 -0.001 0.000 0.246 356 I C 2.630 178.678 176.117 -0.115 0.000 1.093 356 I CA 1.500 62.570 61.300 -0.384 0.000 1.355 356 I CB -1.278 36.546 38.000 -0.294 0.000 1.046 356 I HN 0.414 nan 8.210 nan 0.000 0.413 357 Q N 0.072 119.788 119.800 -0.139 0.000 2.050 357 Q HA -0.159 4.180 4.340 -0.001 0.000 0.202 357 Q C 2.449 178.421 176.000 -0.047 0.000 0.980 357 Q CA 1.584 57.351 55.803 -0.060 0.000 0.840 357 Q CB -0.220 28.475 28.738 -0.072 0.000 0.898 357 Q HN 0.353 nan 8.270 nan 0.000 0.424 358 V N 0.567 120.404 119.914 -0.129 0.000 2.287 358 V HA -0.261 3.858 4.120 -0.001 0.000 0.248 358 V C 1.954 178.101 176.094 0.088 0.000 1.053 358 V CA 1.833 64.051 62.300 -0.135 0.000 1.027 358 V CB -0.691 30.941 31.823 -0.319 0.000 0.646 358 V HN 0.376 nan 8.190 nan 0.000 0.447 359 F N 0.167 120.096 119.950 -0.035 0.000 2.186 359 F HA -0.172 4.354 4.527 -0.001 0.000 0.299 359 F C 2.711 178.626 175.800 0.191 0.000 1.090 359 F CA 0.912 58.946 58.000 0.057 0.000 1.307 359 F CB -0.252 38.727 39.000 -0.036 0.000 1.019 359 F HN 0.154 nan 8.300 nan 0.000 0.489 360 S N -0.048 115.866 115.700 0.357 0.000 2.383 360 S HA -0.193 4.276 4.470 -0.001 0.000 0.229 360 S C 1.806 176.445 174.600 0.065 0.000 1.030 360 S CA 1.770 60.078 58.200 0.179 0.000 1.002 360 S CB -0.369 62.885 63.200 0.090 0.000 0.829 360 S HN 0.427 nan 8.310 nan 0.000 0.467 361 S N -0.045 115.690 115.700 0.057 0.000 2.578 361 S HA 0.301 4.770 4.470 -0.001 0.000 0.231 361 S C 0.421 175.030 174.600 0.015 0.000 0.994 361 S CA -0.556 57.652 58.200 0.014 0.000 0.956 361 S CB 0.151 63.345 63.200 -0.010 0.000 0.870 361 S HN 0.330 nan 8.310 nan 0.000 0.494 362 N N 0.797 119.525 118.700 0.046 0.000 2.307 362 N HA 0.224 4.963 4.740 -0.001 0.000 0.248 362 N C -0.894 174.650 175.510 0.057 0.000 1.322 362 N CA 0.026 53.093 53.050 0.028 0.000 0.861 362 N CB 1.654 40.126 38.487 -0.024 0.000 1.303 362 N HN 0.249 nan 8.380 nan 0.000 0.498 363 T N -0.472 114.128 114.554 0.078 0.000 2.900 363 T HA 0.277 4.627 4.350 -0.001 0.000 0.303 363 T C 0.447 175.189 174.700 0.070 0.000 1.142 363 T CA -0.226 61.907 62.100 0.054 0.000 1.007 363 T CB 2.893 71.765 68.868 0.006 0.000 1.156 363 T HN -0.029 nan 8.240 nan 0.000 0.490 364 E N 0.752 120.986 120.200 0.056 0.000 2.290 364 E HA 0.566 4.915 4.350 -0.001 0.000 0.197 364 E C 0.318 176.949 176.600 0.051 0.000 0.948 364 E CA 0.249 56.676 56.400 0.045 0.000 0.895 364 E CB 0.518 30.253 29.700 0.057 0.000 0.865 364 E HN 0.689 nan 8.360 nan 0.000 0.486 365 A N -0.002 122.862 122.820 0.073 0.000 2.567 365 A HA 0.649 4.969 4.320 -0.001 0.000 0.289 365 A C -1.911 175.702 177.584 0.050 0.000 1.177 365 A CA -0.679 51.420 52.037 0.103 0.000 0.694 365 A CB 1.394 20.408 19.000 0.024 0.000 1.292 365 A HN 0.113 nan 8.150 nan 0.000 0.425 366 L N 1.215 122.438 121.223 0.001 0.000 2.476 366 L HA 0.556 4.895 4.340 -0.001 0.000 0.269 366 L C -1.725 175.062 176.870 -0.139 0.000 0.965 366 L CA -0.425 54.279 54.840 -0.227 0.000 0.845 366 L CB 1.251 42.973 42.059 -0.562 0.000 1.259 366 L HN 0.739 nan 8.230 nan 0.000 0.403 367 I N 5.571 126.052 120.570 -0.148 0.000 2.331 367 I HA 0.355 4.524 4.170 -0.001 0.000 0.292 367 I C -0.208 175.768 176.117 -0.234 0.000 0.998 367 I CA -0.352 60.905 61.300 -0.071 0.000 1.267 367 I CB 1.695 39.757 38.000 0.103 0.000 1.386 367 I HN 0.457 nan 8.210 nan 0.000 0.476 368 I N 5.403 125.892 120.570 -0.135 0.000 2.382 368 I HA 0.157 4.326 4.170 -0.001 0.000 0.285 368 I C -0.537 175.507 176.117 -0.121 0.000 1.007 368 I CA -0.550 60.645 61.300 -0.175 0.000 1.142 368 I CB 1.528 39.568 38.000 0.067 0.000 1.289 368 I HN 0.499 nan 8.210 nan 0.000 0.453 369 D N 6.306 126.527 120.400 -0.297 0.000 2.316 369 D HA 0.063 4.702 4.640 -0.001 0.000 0.245 369 D C 0.175 176.435 176.300 -0.066 0.000 1.171 369 D CA 0.317 54.264 54.000 -0.088 0.000 0.856 369 D CB 1.140 41.935 40.800 -0.008 0.000 1.090 369 D HN 0.469 nan 8.370 nan 0.000 0.476 370 Q N 2.842 122.650 119.800 0.013 0.000 2.139 370 Q HA 0.080 4.419 4.340 -0.001 0.000 0.219 370 Q C -0.163 175.863 176.000 0.043 0.000 0.805 370 Q CA -0.256 55.551 55.803 0.007 0.000 1.024 370 Q CB 0.471 29.252 28.738 0.072 0.000 1.163 370 Q HN 0.692 nan 8.270 nan 0.000 0.485 371 T N -1.075 113.508 114.554 0.048 0.000 2.802 371 T HA 0.116 4.465 4.350 -0.001 0.000 0.305 371 T C 0.454 175.219 174.700 0.109 0.000 1.053 371 T CA -0.251 61.907 62.100 0.097 0.000 1.058 371 T CB 0.389 69.353 68.868 0.161 0.000 0.988 371 T HN 0.290 nan 8.240 nan 0.000 0.539 372 N N 1.195 119.997 118.700 0.170 0.000 2.688 372 N HA -0.176 4.563 4.740 -0.001 0.000 0.258 372 N C -1.027 174.575 175.510 0.153 0.000 1.016 372 N CA 0.673 53.843 53.050 0.201 0.000 0.747 372 N CB -1.431 37.216 38.487 0.266 0.000 0.895 372 N HN 0.787 nan 8.380 nan 0.000 0.543 373 N N 0.235 119.031 118.700 0.159 0.000 2.399 373 N HA 0.320 5.059 4.740 -0.001 0.000 0.284 373 N C -2.060 173.617 175.510 0.277 0.000 1.025 373 N CA -1.776 51.362 53.050 0.148 0.000 0.885 373 N CB 1.869 40.416 38.487 0.101 0.000 1.339 373 N HN -0.071 nan 8.380 nan 0.000 0.487 374 P HA 0.132 nan 4.420 nan 0.000 0.236 374 P C 0.657 178.100 177.300 0.238 0.000 1.177 374 P CA 0.753 63.982 63.100 0.214 0.000 0.773 374 P CB 0.477 32.211 31.700 0.056 0.000 0.878 375 G N -0.926 108.049 108.800 0.290 0.000 2.545 375 G HA2 0.204 4.164 3.960 -0.001 0.000 0.216 375 G HA3 0.204 4.164 3.960 -0.001 0.000 0.216 375 G C -0.026 175.058 174.900 0.307 0.000 1.314 375 G CA -0.190 45.112 45.100 0.336 0.000 0.906 375 G HN 0.630 nan 8.290 nan 0.000 0.563 376 G N -1.727 107.224 108.800 0.253 0.000 2.530 376 G HA2 0.544 4.503 3.960 -0.001 0.000 0.081 376 G HA3 0.544 4.503 3.960 -0.001 0.000 0.081 376 G C 0.187 175.193 174.900 0.177 0.000 1.062 376 G CA 1.018 46.235 45.100 0.196 0.000 1.108 376 G HN 2.294 nan 8.290 nan 0.000 0.466 377 S N 0.263 116.096 115.700 0.222 0.000 2.474 377 S HA 0.430 4.899 4.470 -0.001 0.000 0.276 377 S C 1.600 176.259 174.600 0.098 0.000 1.227 377 S CA 0.239 58.546 58.200 0.178 0.000 1.050 377 S CB 1.209 64.574 63.200 0.275 0.000 0.939 377 S HN 0.996 nan 8.310 nan 0.000 0.490 378 V N 6.861 126.727 119.914 -0.080 0.000 2.343 378 V HA -0.181 3.939 4.120 -0.001 0.000 0.247 378 V C 2.222 177.864 176.094 -0.753 0.000 1.051 378 V CA 1.958 64.017 62.300 -0.401 0.000 1.036 378 V CB -0.721 30.849 31.823 -0.422 0.000 0.654 378 V HN 0.864 nan 8.190 nan 0.000 0.451 379 L N -1.351 119.528 121.223 -0.574 0.000 2.083 379 L HA -0.203 4.136 4.340 -0.001 0.000 0.209 379 L C 2.481 179.224 176.870 -0.212 0.000 1.083 379 L CA 1.841 56.339 54.840 -0.570 0.000 0.752 379 L CB -0.706 41.045 42.059 -0.514 0.000 0.899 379 L HN 0.413 nan 8.230 nan 0.000 0.433 380 Y N 0.359 120.572 120.300 -0.146 0.000 2.263 380 Y HA -0.198 4.351 4.550 -0.001 0.000 0.292 380 Y C 2.344 178.277 175.900 0.055 0.000 1.130 380 Y CA 1.106 59.192 58.100 -0.024 0.000 1.179 380 Y CB -0.061 38.528 38.460 0.215 0.000 0.998 380 Y HN 0.025 nan 8.280 nan 0.000 0.532 381 L N -0.633 120.573 121.223 -0.028 0.000 2.083 381 L HA -0.252 4.088 4.340 -0.001 0.000 0.209 381 L C 1.775 178.672 176.870 0.046 0.000 1.083 381 L CA 2.067 56.857 54.840 -0.084 0.000 0.752 381 L CB -1.064 40.844 42.059 -0.253 0.000 0.899 381 L HN 0.249 nan 8.230 nan 0.000 0.433 382 Y N 0.546 120.774 120.300 -0.121 0.000 2.200 382 Y HA -0.058 4.491 4.550 -0.001 0.000 0.290 382 Y C 2.867 178.842 175.900 0.124 0.000 1.137 382 Y CA 0.649 58.698 58.100 -0.084 0.000 1.163 382 Y CB -1.422 36.805 38.460 -0.388 0.000 0.988 382 Y HN 0.263 nan 8.280 nan 0.000 0.518 383 A N 0.395 123.355 122.820 0.233 0.000 1.892 383 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 383 A C 2.384 179.962 177.584 -0.010 0.000 1.188 383 A CA 1.801 53.921 52.037 0.139 0.000 0.631 383 A CB -1.165 17.751 19.000 -0.140 0.000 0.822 383 A HN 0.444 nan 8.150 nan 0.000 0.447 384 L N -0.990 120.093 121.223 -0.234 0.000 2.093 384 L HA -0.135 4.204 4.340 -0.001 0.000 0.208 384 L C 2.545 179.440 176.870 0.041 0.000 1.085 384 L CA 0.863 55.477 54.840 -0.376 0.000 0.755 384 L CB -0.541 41.115 42.059 -0.671 0.000 0.904 384 L HN 0.367 nan 8.230 nan 0.000 0.435 385 L N -0.231 121.091 121.223 0.165 0.000 2.093 385 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 385 L C 2.854 179.824 176.870 0.167 0.000 1.085 385 L CA 1.425 56.384 54.840 0.198 0.000 0.755 385 L CB -0.392 41.768 42.059 0.168 0.000 0.904 385 L HN 0.382 nan 8.230 nan 0.000 0.435 386 S N -0.730 115.089 115.700 0.199 0.000 2.447 386 S HA -0.138 4.331 4.470 -0.001 0.000 0.233 386 S C 1.734 176.446 174.600 0.186 0.000 1.006 386 S CA 0.796 59.107 58.200 0.185 0.000 0.957 386 S CB -0.252 63.054 63.200 0.176 0.000 0.773 386 S HN 0.410 nan 8.310 nan 0.000 0.507 387 M N 0.473 120.193 119.600 0.200 0.000 2.495 387 M HA 0.349 4.828 4.480 -0.001 0.000 0.237 387 M C 0.329 176.772 176.300 0.239 0.000 1.131 387 M CA 0.389 55.807 55.300 0.197 0.000 1.032 387 M CB -0.004 32.724 32.600 0.213 0.000 1.513 387 M HN 0.281 nan 8.290 nan 0.000 0.488 388 L N -0.730 120.633 121.223 0.234 0.000 3.066 388 L HA 0.292 4.631 4.340 -0.001 0.000 0.265 388 L C 0.277 177.251 176.870 0.173 0.000 1.232 388 L CA -0.141 54.846 54.840 0.246 0.000 1.031 388 L CB 0.592 42.799 42.059 0.246 0.000 1.379 388 L HN -0.001 nan 8.230 nan 0.000 0.563 389 T N -1.174 113.457 114.554 0.128 0.000 2.957 389 T HA 0.214 4.564 4.350 -0.001 0.000 0.336 389 T C -1.050 173.682 174.700 0.054 0.000 1.462 389 T CA -0.468 61.675 62.100 0.072 0.000 1.073 389 T CB 1.596 70.489 68.868 0.042 0.000 1.319 389 T HN 0.290 nan 8.240 nan 0.000 0.485 390 D N 1.604 122.020 120.400 0.025 0.000 2.402 390 D HA 0.215 4.854 4.640 -0.001 0.000 0.216 390 D C 0.486 176.793 176.300 0.012 0.000 1.128 390 D CA -0.305 53.705 54.000 0.017 0.000 0.833 390 D CB 0.177 40.975 40.800 -0.004 0.000 0.971 390 D HN 0.643 nan 8.370 nan 0.000 0.503 391 R N -0.370 120.136 120.500 0.010 0.000 2.771 391 R HA 0.601 4.940 4.340 -0.001 0.000 0.274 391 R C -3.046 173.247 176.300 -0.011 0.000 0.987 391 R CA -2.093 54.008 56.100 0.001 0.000 0.908 391 R CB 0.936 31.230 30.300 -0.010 0.000 1.213 391 R HN -0.199 nan 8.270 nan 0.000 0.468 392 P HA 0.099 nan 4.420 nan 0.000 0.271 392 P C -0.782 176.449 177.300 -0.114 0.000 1.216 392 P CA -0.138 62.903 63.100 -0.099 0.000 0.776 392 P CB 0.903 32.546 31.700 -0.095 0.000 0.881 393 L N 2.463 123.590 121.223 -0.160 0.000 2.319 393 L HA 0.339 4.679 4.340 -0.001 0.000 0.281 393 L C 0.898 177.659 176.870 -0.181 0.000 1.005 393 L CA -0.938 53.817 54.840 -0.141 0.000 0.828 393 L CB 1.470 43.457 42.059 -0.121 0.000 1.227 393 L HN 0.278 nan 8.230 nan 0.000 0.415 394 E N 3.444 123.553 120.200 -0.152 0.000 2.413 394 E HA 0.266 4.615 4.350 -0.001 0.000 0.263 394 E C -0.698 175.794 176.600 -0.179 0.000 1.015 394 E CA 0.226 56.529 56.400 -0.161 0.000 0.916 394 E CB 1.337 30.958 29.700 -0.131 0.000 0.947 394 E HN 0.402 nan 8.360 nan 0.000 0.440 395 L N 4.463 125.568 121.223 -0.197 0.000 2.342 395 L HA 0.407 4.747 4.340 -0.001 0.000 0.271 395 L C -2.003 174.762 176.870 -0.173 0.000 1.008 395 L CA -2.032 52.691 54.840 -0.194 0.000 0.818 395 L CB 1.929 43.842 42.059 -0.243 0.000 1.296 395 L HN 0.318 nan 8.230 nan 0.000 0.427 396 P HA 0.207 nan 4.420 nan 0.000 0.274 396 P C -1.296 175.905 177.300 -0.165 0.000 1.231 396 P CA -0.404 62.568 63.100 -0.213 0.000 0.790 396 P CB 1.084 32.624 31.700 -0.267 0.000 0.951 397 K N 0.862 121.173 120.400 -0.148 0.000 2.168 397 K HA 0.444 4.763 4.320 -0.001 0.000 0.239 397 K C 0.196 176.745 176.600 -0.084 0.000 0.999 397 K CA -0.722 55.544 56.287 -0.035 0.000 0.900 397 K CB 0.954 33.437 32.500 -0.027 0.000 1.111 397 K HN 0.570 nan 8.250 nan 0.000 0.452 398 H N 1.019 120.078 119.070 -0.019 0.000 2.538 398 H HA 0.279 4.834 4.556 -0.001 0.000 0.353 398 H C -0.490 174.873 175.328 0.059 0.000 1.109 398 H CA -0.887 55.178 56.048 0.028 0.000 1.192 398 H CB 1.669 31.479 29.762 0.080 0.000 1.555 398 H HN 0.201 nan 8.280 nan 0.000 0.518 399 R N 3.419 124.003 120.500 0.141 0.000 2.198 399 R HA 0.307 4.647 4.340 -0.001 0.000 0.339 399 R C -0.222 176.147 176.300 0.114 0.000 1.020 399 R CA -0.352 55.815 56.100 0.110 0.000 0.864 399 R CB 0.849 31.204 30.300 0.090 0.000 1.105 399 R HN 0.501 nan 8.270 nan 0.000 0.463 400 M N 2.747 122.427 119.600 0.132 0.000 2.478 400 M HA 0.468 4.947 4.480 -0.001 0.000 0.327 400 M C 0.162 176.514 176.300 0.086 0.000 1.187 400 M CA -0.787 54.593 55.300 0.135 0.000 1.022 400 M CB 1.769 34.493 32.600 0.208 0.000 1.629 400 M HN 0.436 nan 8.290 nan 0.000 0.461 401 I N 2.711 123.318 120.570 0.061 0.000 2.336 401 I HA 0.482 4.651 4.170 -0.001 0.000 0.292 401 I C -1.447 174.717 176.117 0.078 0.000 0.991 401 I CA -0.533 60.800 61.300 0.056 0.000 1.227 401 I CB 0.617 38.630 38.000 0.020 0.000 1.366 401 I HN 0.598 nan 8.210 nan 0.000 0.466 402 L N 6.491 127.790 121.223 0.127 0.000 2.322 402 L HA 0.738 5.077 4.340 -0.001 0.000 0.269 402 L C -0.080 176.914 176.870 0.206 0.000 1.012 402 L CA -0.581 54.349 54.840 0.149 0.000 0.815 402 L CB 2.008 44.208 42.059 0.236 0.000 1.295 402 L HN 0.630 nan 8.230 nan 0.000 0.438 403 T N -3.394 111.180 114.554 0.033 0.000 2.841 403 T HA 0.198 4.548 4.350 -0.001 0.000 0.296 403 T C 0.321 174.771 174.700 -0.416 0.000 1.166 403 T CA -0.831 61.260 62.100 -0.015 0.000 1.007 403 T CB 1.641 70.499 68.868 -0.016 0.000 1.253 403 T HN 0.580 nan 8.240 nan 0.000 0.511 404 Q N 0.634 120.160 119.800 -0.456 0.000 2.364 404 Q HA -0.150 4.189 4.340 -0.001 0.000 0.209 404 Q C 1.188 176.970 176.000 -0.364 0.000 0.977 404 Q CA 1.568 57.014 55.803 -0.597 0.000 0.885 404 Q CB -0.668 27.882 28.738 -0.314 0.000 0.941 404 Q HN 0.814 nan 8.270 nan 0.000 0.464 405 D N 1.859 122.120 120.400 -0.232 0.000 2.084 405 D HA -0.185 4.454 4.640 -0.001 0.000 0.194 405 D C 1.182 177.374 176.300 -0.180 0.000 0.990 405 D CA 1.490 55.391 54.000 -0.164 0.000 0.826 405 D CB 0.198 40.926 40.800 -0.120 0.000 0.971 405 D HN 0.255 nan 8.370 nan 0.000 0.453 406 E N -0.276 119.808 120.200 -0.193 0.000 2.204 406 E HA -0.072 4.278 4.350 -0.001 0.000 0.194 406 E C 2.243 178.722 176.600 -0.202 0.000 0.989 406 E CA 0.284 56.596 56.400 -0.148 0.000 0.824 406 E CB -0.093 29.548 29.700 -0.098 0.000 0.756 406 E HN 0.187 nan 8.360 nan 0.000 0.477 407 V N -0.026 119.671 119.914 -0.361 0.000 2.358 407 V HA -0.212 3.907 4.120 -0.001 0.000 0.246 407 V C 2.171 178.120 176.094 -0.242 0.000 1.047 407 V CA 1.267 63.323 62.300 -0.407 0.000 1.035 407 V CB -0.424 30.947 31.823 -0.754 0.000 0.658 407 V HN 0.147 nan 8.190 nan 0.000 0.452 408 V N 0.210 119.994 119.914 -0.216 0.000 2.407 408 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 408 V C 2.305 178.329 176.094 -0.117 0.000 1.055 408 V CA 2.096 64.309 62.300 -0.145 0.000 1.049 408 V CB -0.671 31.074 31.823 -0.131 0.000 0.662 408 V HN 0.557 nan 8.190 nan 0.000 0.455 409 D N 0.410 120.746 120.400 -0.106 0.000 2.097 409 D HA -0.139 4.500 4.640 -0.001 0.000 0.195 409 D C 2.261 178.582 176.300 0.035 0.000 0.989 409 D CA 1.681 55.628 54.000 -0.087 0.000 0.827 409 D CB -0.353 40.448 40.800 0.003 0.000 0.966 409 D HN 0.432 nan 8.370 nan 0.000 0.456 410 A N 0.908 123.776 122.820 0.080 0.000 1.865 410 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 410 A C 2.450 180.102 177.584 0.112 0.000 1.191 410 A CA 1.186 53.299 52.037 0.126 0.000 0.623 410 A CB -0.950 18.005 19.000 -0.074 0.000 0.826 410 A HN 0.231 nan 8.150 nan 0.000 0.444 411 L N -0.581 120.648 121.223 0.010 0.000 2.079 411 L HA -0.210 4.129 4.340 -0.001 0.000 0.210 411 L C 2.044 178.923 176.870 0.015 0.000 1.081 411 L CA 1.468 56.312 54.840 0.007 0.000 0.752 411 L CB -0.690 41.349 42.059 -0.033 0.000 0.896 411 L HN 0.317 nan 8.230 nan 0.000 0.433 412 D N -0.854 119.520 120.400 -0.043 0.000 2.178 412 D HA -0.176 4.463 4.640 -0.001 0.000 0.202 412 D C 1.964 178.222 176.300 -0.070 0.000 0.974 412 D CA 1.119 55.052 54.000 -0.110 0.000 0.841 412 D CB -0.162 40.495 40.800 -0.237 0.000 0.953 412 D HN 0.362 nan 8.370 nan 0.000 0.478 413 W N 1.028 122.362 121.300 0.058 0.000 2.381 413 W HA -0.021 4.638 4.660 -0.001 0.000 0.301 413 W C 2.335 178.899 176.519 0.076 0.000 1.205 413 W CA 0.245 57.647 57.345 0.095 0.000 1.285 413 W CB -0.352 29.206 29.460 0.162 0.000 1.133 413 W HN -0.048 nan 8.180 nan 0.000 0.521 414 L N -0.148 121.247 121.223 0.287 0.000 2.017 414 L HA -0.219 4.120 4.340 -0.001 0.000 0.208 414 L C 2.774 179.716 176.870 0.120 0.000 1.073 414 L CA 1.956 56.902 54.840 0.176 0.000 0.745 414 L CB -1.639 40.491 42.059 0.118 0.000 0.894 414 L HN 0.109 nan 8.230 nan 0.000 0.432 415 T N -1.882 112.722 114.554 0.083 0.000 2.915 415 T HA -0.178 4.172 4.350 -0.001 0.000 0.269 415 T C 1.878 176.613 174.700 0.058 0.000 1.071 415 T CA 0.683 62.814 62.100 0.052 0.000 1.132 415 T CB -0.298 68.583 68.868 0.021 0.000 0.878 415 T HN 0.194 nan 8.240 nan 0.000 0.479 416 L N 0.089 121.359 121.223 0.078 0.000 2.217 416 L HA 0.305 4.644 4.340 -0.001 0.000 0.211 416 L C 1.580 178.522 176.870 0.120 0.000 1.107 416 L CA 1.538 56.429 54.840 0.085 0.000 0.783 416 L CB -0.544 41.563 42.059 0.081 0.000 0.919 416 L HN 0.403 nan 8.230 nan 0.000 0.442 417 L N -0.880 120.433 121.223 0.149 0.000 2.857 417 L HA 0.132 4.471 4.340 -0.001 0.000 0.249 417 L C 1.877 178.801 176.870 0.089 0.000 1.172 417 L CA -0.288 54.631 54.840 0.132 0.000 0.980 417 L CB 0.292 42.454 42.059 0.171 0.000 1.299 417 L HN 0.139 nan 8.230 nan 0.000 0.535 418 E N 1.396 121.641 120.200 0.075 0.000 2.055 418 E HA -0.257 4.092 4.350 -0.001 0.000 0.209 418 E C 0.653 177.278 176.600 0.041 0.000 1.036 418 E CA 2.006 58.438 56.400 0.054 0.000 0.849 418 E CB -0.117 29.609 29.700 0.044 0.000 0.767 418 E HN 0.556 nan 8.360 nan 0.000 0.461 419 N N -0.006 118.716 118.700 0.036 0.000 2.322 419 N HA 0.066 4.805 4.740 -0.001 0.000 0.216 419 N C -1.054 174.470 175.510 0.024 0.000 1.144 419 N CA -0.096 52.970 53.050 0.026 0.000 0.830 419 N CB 0.870 39.370 38.487 0.022 0.000 1.034 419 N HN -0.124 nan 8.380 nan 0.000 0.484 420 V N 1.238 121.170 119.914 0.030 0.000 2.408 420 V HA 0.105 4.224 4.120 -0.001 0.000 0.267 420 V C 0.199 176.297 176.094 0.007 0.000 1.047 420 V CA 0.202 62.516 62.300 0.023 0.000 0.937 420 V CB 1.084 32.929 31.823 0.038 0.000 0.999 420 V HN 0.298 nan 8.190 nan 0.000 0.472 421 D N 1.801 122.199 120.400 -0.003 0.000 2.449 421 D HA 0.092 4.731 4.640 -0.001 0.000 0.255 421 D C 0.902 177.185 176.300 -0.027 0.000 1.121 421 D CA 0.387 54.378 54.000 -0.015 0.000 0.830 421 D CB 1.357 42.150 40.800 -0.011 0.000 1.280 421 D HN 0.671 nan 8.370 nan 0.000 0.522 422 T N -1.752 112.788 114.554 -0.023 0.000 2.930 422 T HA 0.314 4.663 4.350 -0.001 0.000 0.290 422 T C 0.969 175.647 174.700 -0.036 0.000 1.052 422 T CA -0.628 61.453 62.100 -0.032 0.000 1.017 422 T CB 2.254 71.108 68.868 -0.024 0.000 1.137 422 T HN -0.350 nan 8.240 nan 0.000 0.511 423 N N 0.362 119.034 118.700 -0.047 0.000 2.166 423 N HA -0.097 4.642 4.740 -0.001 0.000 0.186 423 N C 2.039 177.530 175.510 -0.033 0.000 1.019 423 N CA 0.991 54.010 53.050 -0.053 0.000 0.856 423 N CB -0.676 37.771 38.487 -0.067 0.000 0.993 423 N HN 0.485 nan 8.380 nan 0.000 0.426 424 V N 1.897 121.796 119.914 -0.025 0.000 2.255 424 V HA -0.234 3.885 4.120 -0.001 0.000 0.247 424 V C 2.083 178.175 176.094 -0.003 0.000 1.051 424 V CA 1.734 64.026 62.300 -0.013 0.000 1.018 424 V CB -0.621 31.196 31.823 -0.011 0.000 0.641 424 V HN 0.318 nan 8.190 nan 0.000 0.445 425 E N 0.106 120.305 120.200 -0.001 0.000 2.153 425 E HA -0.156 4.193 4.350 -0.001 0.000 0.194 425 E C 2.389 179.001 176.600 0.019 0.000 0.988 425 E CA 1.391 57.797 56.400 0.010 0.000 0.811 425 E CB -0.207 29.498 29.700 0.009 0.000 0.746 425 E HN 0.525 nan 8.360 nan 0.000 0.466 426 S N 0.584 116.289 115.700 0.010 0.000 2.368 426 S HA -0.103 4.366 4.470 -0.001 0.000 0.224 426 S C 1.785 176.405 174.600 0.032 0.000 1.029 426 S CA 0.876 59.089 58.200 0.021 0.000 0.988 426 S CB -0.073 63.123 63.200 -0.007 0.000 0.838 426 S HN 0.237 nan 8.310 nan 0.000 0.462 427 R N 0.298 120.808 120.500 0.017 0.000 2.148 427 R HA 0.067 4.406 4.340 -0.001 0.000 0.223 427 R C 1.615 177.937 176.300 0.037 0.000 1.088 427 R CA 0.719 56.833 56.100 0.023 0.000 0.985 427 R CB -0.341 29.963 30.300 0.007 0.000 0.880 427 R HN 0.270 nan 8.270 nan 0.000 0.451 428 L N 0.087 121.331 121.223 0.034 0.000 2.179 428 L HA 0.034 4.374 4.340 -0.001 0.000 0.208 428 L C 2.284 179.185 176.870 0.051 0.000 1.096 428 L CA 1.448 56.312 54.840 0.039 0.000 0.779 428 L CB -0.479 41.598 42.059 0.030 0.000 0.922 428 L HN 0.120 nan 8.230 nan 0.000 0.443 429 A N -1.366 121.490 122.820 0.061 0.000 1.984 429 A HA 0.104 4.424 4.320 -0.001 0.000 0.214 429 A C 2.054 179.703 177.584 0.108 0.000 1.173 429 A CA 0.872 52.957 52.037 0.080 0.000 0.673 429 A CB -0.213 18.840 19.000 0.089 0.000 0.830 429 A HN 0.338 nan 8.150 nan 0.000 0.453 430 L N -2.328 118.963 121.223 0.114 0.000 2.575 430 L HA 0.331 4.670 4.340 -0.001 0.000 0.228 430 L C 1.573 178.511 176.870 0.113 0.000 1.075 430 L CA 0.637 55.564 54.840 0.145 0.000 0.867 430 L CB 0.331 42.488 42.059 0.163 0.000 1.097 430 L HN 0.519 nan 8.230 nan 0.000 0.485 431 G N 1.163 110.014 108.800 0.085 0.000 2.163 431 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.213 431 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.213 431 G C 0.426 175.361 174.900 0.059 0.000 0.991 431 G CA 0.775 45.921 45.100 0.076 0.000 0.653 431 G HN 0.585 nan 8.290 nan 0.000 0.518 432 D N -1.542 118.884 120.400 0.043 0.000 2.673 432 D HA -0.253 4.387 4.640 -0.001 0.000 0.186 432 D C -0.009 176.286 176.300 -0.007 0.000 1.079 432 D CA 2.625 56.632 54.000 0.011 0.000 1.050 432 D CB -1.537 39.268 40.800 0.009 0.000 1.118 432 D HN 1.397 nan 8.370 nan 0.000 0.426 433 N N -0.625 118.082 118.700 0.012 0.000 2.500 433 N HA 0.441 5.180 4.740 -0.001 0.000 0.291 433 N C -1.370 174.111 175.510 -0.049 0.000 1.092 433 N CA -0.588 52.438 53.050 -0.040 0.000 0.890 433 N CB 1.201 39.686 38.487 -0.004 0.000 1.466 433 N HN 0.220 nan 8.380 nan 0.000 0.507 434 M N 2.705 122.265 119.600 -0.067 0.000 2.208 434 M HA 0.250 4.729 4.480 -0.001 0.000 0.352 434 M C -0.233 175.916 176.300 -0.251 0.000 1.137 434 M CA -0.155 55.105 55.300 -0.065 0.000 1.091 434 M CB 0.525 33.136 32.600 0.018 0.000 1.309 434 M HN 0.617 nan 8.290 nan 0.000 0.408 435 E N 1.407 121.371 120.200 -0.394 0.000 2.360 435 E HA -0.264 4.085 4.350 -0.001 0.000 0.238 435 E C 0.925 176.597 176.600 -1.547 0.000 1.186 435 E CA 0.564 56.492 56.400 -0.786 0.000 0.719 435 E CB -1.403 28.213 29.700 -0.141 0.000 1.236 435 E HN 1.222 nan 8.360 nan 0.000 0.386 436 G N -0.675 106.912 108.800 -2.022 0.000 2.254 436 G HA2 -0.378 3.581 3.960 -0.001 0.000 0.225 436 G HA3 -0.378 3.581 3.960 -0.001 0.000 0.225 436 G C -0.121 174.409 174.900 -0.617 0.000 1.003 436 G CA 0.100 44.041 45.100 -1.932 0.000 0.622 436 G HN 0.363 nan 8.290 nan 0.000 0.507 437 Y N 3.180 123.207 120.300 -0.456 0.000 2.335 437 Y HA 0.537 5.086 4.550 -0.001 0.000 0.331 437 Y C 0.943 176.765 175.900 -0.129 0.000 1.094 437 Y CA 0.429 58.428 58.100 -0.170 0.000 1.253 437 Y CB 0.895 39.335 38.460 -0.033 0.000 1.203 437 Y HN 0.095 nan 8.280 nan 0.000 0.508 438 T N 6.152 120.342 114.554 -0.606 0.000 2.829 438 T HA 0.132 4.481 4.350 -0.001 0.000 0.293 438 T C -0.316 174.216 174.700 -0.281 0.000 0.970 438 T CA -0.216 61.623 62.100 -0.436 0.000 1.168 438 T CB -0.144 68.402 68.868 -0.537 0.000 0.911 438 T HN 0.399 nan 8.240 nan 0.000 0.535 439 V N 5.211 125.056 119.914 -0.115 0.000 2.427 439 V HA 0.230 4.349 4.120 -0.001 0.000 0.268 439 V C 0.413 176.453 176.094 -0.089 0.000 1.046 439 V CA -0.262 62.019 62.300 -0.032 0.000 0.970 439 V CB 1.063 32.896 31.823 0.018 0.000 1.001 439 V HN 0.808 nan 8.190 nan 0.000 0.476 440 D N 2.284 122.619 120.400 -0.109 0.000 2.467 440 D HA 0.323 4.962 4.640 -0.001 0.000 0.245 440 D C 0.726 176.940 176.300 -0.143 0.000 1.038 440 D CA -0.732 53.176 54.000 -0.154 0.000 1.038 440 D CB 1.810 42.472 40.800 -0.229 0.000 1.278 440 D HN 0.296 nan 8.370 nan 0.000 0.564 441 L N 1.129 122.260 121.223 -0.153 0.000 2.191 441 L HA -0.097 4.242 4.340 -0.001 0.000 0.212 441 L C 1.599 178.347 176.870 -0.203 0.000 1.103 441 L CA 1.799 56.556 54.840 -0.137 0.000 0.769 441 L CB -0.466 41.518 42.059 -0.124 0.000 0.908 441 L HN 0.584 nan 8.230 nan 0.000 0.438 442 Q N -0.861 118.757 119.800 -0.303 0.000 2.224 442 Q HA -0.133 4.206 4.340 -0.001 0.000 0.203 442 Q C 2.104 177.751 176.000 -0.587 0.000 0.970 442 Q CA 1.380 56.883 55.803 -0.499 0.000 0.865 442 Q CB 0.234 28.597 28.738 -0.625 0.000 0.922 442 Q HN 0.466 nan 8.270 nan 0.000 0.445 443 V N 0.683 120.392 119.914 -0.341 0.000 2.270 443 V HA -0.259 3.860 4.120 -0.001 0.000 0.245 443 V C 2.354 178.400 176.094 -0.080 0.000 1.043 443 V CA 1.806 63.980 62.300 -0.209 0.000 1.014 443 V CB -1.085 30.711 31.823 -0.045 0.000 0.645 443 V HN 0.497 nan 8.190 nan 0.000 0.447 444 A N -0.426 122.363 122.820 -0.053 0.000 1.948 444 A HA -0.282 4.037 4.320 -0.001 0.000 0.220 444 A C 2.128 179.712 177.584 -0.001 0.000 1.177 444 A CA 2.199 54.243 52.037 0.013 0.000 0.636 444 A CB -0.538 18.471 19.000 0.014 0.000 0.815 444 A HN 0.530 nan 8.150 nan 0.000 0.449 445 E N -0.979 119.166 120.200 -0.092 0.000 2.072 445 E HA -0.115 4.234 4.350 -0.001 0.000 0.191 445 E C 1.709 178.322 176.600 0.021 0.000 0.985 445 E CA 1.271 57.621 56.400 -0.083 0.000 0.801 445 E CB -0.422 29.159 29.700 -0.199 0.000 0.750 445 E HN 0.816 nan 8.360 nan 0.000 0.452 446 Y N -0.111 120.160 120.300 -0.048 0.000 2.133 446 Y HA -0.167 4.382 4.550 -0.001 0.000 0.287 446 Y C 2.178 178.103 175.900 0.040 0.000 1.134 446 Y CA 0.527 58.619 58.100 -0.012 0.000 1.133 446 Y CB -0.104 38.299 38.460 -0.096 0.000 0.987 446 Y HN -0.002 nan 8.280 nan 0.000 0.502 447 L N 0.017 121.338 121.223 0.164 0.000 2.127 447 L HA -0.270 4.069 4.340 -0.001 0.000 0.211 447 L C 2.375 179.279 176.870 0.057 0.000 1.089 447 L CA 1.372 56.176 54.840 -0.061 0.000 0.757 447 L CB -0.404 41.527 42.059 -0.213 0.000 0.899 447 L HN 0.161 nan 8.230 nan 0.000 0.434 448 K N -0.439 120.027 120.400 0.110 0.000 2.025 448 K HA -0.159 4.160 4.320 -0.001 0.000 0.207 448 K C 2.442 179.107 176.600 0.109 0.000 1.049 448 K CA 1.470 57.828 56.287 0.119 0.000 0.933 448 K CB -0.214 32.337 32.500 0.086 0.000 0.714 448 K HN 0.057 nan 8.250 nan 0.000 0.438 449 S N -0.429 115.345 115.700 0.123 0.000 2.370 449 S HA -0.154 4.316 4.470 -0.001 0.000 0.226 449 S C 0.490 175.147 174.600 0.095 0.000 1.033 449 S CA 0.511 58.778 58.200 0.110 0.000 1.011 449 S CB -0.346 62.945 63.200 0.153 0.000 0.852 449 S HN 0.301 nan 8.310 nan 0.000 0.457 450 F N 1.400 121.343 119.950 -0.012 0.000 2.467 450 F HA 0.499 5.025 4.527 -0.001 0.000 0.362 450 F C 1.166 176.942 175.800 -0.040 0.000 1.090 450 F CA 0.827 58.788 58.000 -0.064 0.000 1.202 450 F CB 0.580 39.478 39.000 -0.171 0.000 1.113 450 F HN 0.301 nan 8.300 nan 0.000 0.541 451 G N 5.940 114.367 108.800 -0.622 0.000 2.659 451 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.202 451 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.202 451 G C 1.423 176.227 174.900 -0.161 0.000 1.186 451 G CA 0.079 44.990 45.100 -0.315 0.000 0.783 451 G HN 0.603 nan 8.290 nan 0.000 0.521 452 R N 0.691 121.146 120.500 -0.076 0.000 2.081 452 R HA 0.022 4.361 4.340 -0.001 0.000 0.235 452 R C 2.759 179.026 176.300 -0.055 0.000 1.131 452 R CA 1.865 57.946 56.100 -0.031 0.000 0.960 452 R CB -0.299 30.004 30.300 0.005 0.000 0.856 452 R HN 0.609 nan 8.270 nan 0.000 0.436 453 Q N -0.137 119.605 119.800 -0.096 0.000 2.079 453 Q HA -0.095 4.244 4.340 -0.001 0.000 0.200 453 Q C 2.201 178.130 176.000 -0.119 0.000 0.974 453 Q CA 1.293 57.042 55.803 -0.089 0.000 0.840 453 Q CB 0.080 28.768 28.738 -0.082 0.000 0.898 453 Q HN 0.160 nan 8.270 nan 0.000 0.430 454 V N 1.243 121.006 119.914 -0.252 0.000 2.358 454 V HA -0.250 3.869 4.120 -0.001 0.000 0.246 454 V C 2.199 178.260 176.094 -0.054 0.000 1.047 454 V CA 1.495 63.665 62.300 -0.218 0.000 1.035 454 V CB -0.487 31.085 31.823 -0.418 0.000 0.658 454 V HN 0.336 nan 8.190 nan 0.000 0.452 455 L N 0.292 121.483 121.223 -0.053 0.000 2.083 455 L HA -0.176 4.163 4.340 -0.001 0.000 0.209 455 L C 2.569 179.498 176.870 0.099 0.000 1.083 455 L CA 1.649 56.515 54.840 0.042 0.000 0.752 455 L CB -0.749 41.319 42.059 0.016 0.000 0.899 455 L HN 0.421 nan 8.230 nan 0.000 0.433 456 N N 0.187 118.912 118.700 0.043 0.000 2.084 456 N HA -0.182 4.558 4.740 -0.001 0.000 0.190 456 N C 1.912 177.457 175.510 0.058 0.000 1.030 456 N CA 1.840 54.916 53.050 0.043 0.000 0.849 456 N CB -0.179 38.318 38.487 0.017 0.000 1.012 456 N HN 0.334 nan 8.380 nan 0.000 0.423 457 C N 0.160 119.496 119.300 0.062 0.000 2.425 457 C HA -0.075 4.384 4.460 -0.001 0.000 0.277 457 C C 2.487 177.549 174.990 0.120 0.000 1.280 457 C CA 0.087 59.149 59.018 0.072 0.000 1.744 457 C CB -1.595 26.186 27.740 0.068 0.000 1.989 457 C HN 0.610 nan 8.230 nan 0.000 0.491 458 W N 2.269 123.551 121.300 -0.031 0.000 2.378 458 W HA -0.175 4.484 4.660 -0.001 0.000 0.313 458 W C 2.515 179.026 176.519 -0.013 0.000 1.197 458 W CA 2.065 59.397 57.345 -0.021 0.000 1.304 458 W CB -0.539 28.905 29.460 -0.026 0.000 1.148 458 W HN 0.471 nan 8.180 nan 0.000 0.494 459 S N 0.605 116.350 115.700 0.074 0.000 2.399 459 S HA -0.186 4.284 4.470 -0.001 0.000 0.231 459 S C 1.561 176.106 174.600 -0.092 0.000 1.022 459 S CA 1.291 59.468 58.200 -0.038 0.000 0.983 459 S CB -0.582 62.646 63.200 0.047 0.000 0.803 459 S HN 0.286 nan 8.310 nan 0.000 0.480 460 K N 0.760 121.126 120.400 -0.056 0.000 2.459 460 K HA 0.202 4.521 4.320 -0.001 0.000 0.193 460 K C 1.375 177.917 176.600 -0.095 0.000 1.030 460 K CA 0.420 56.673 56.287 -0.057 0.000 1.026 460 K CB -0.301 32.187 32.500 -0.021 0.000 0.809 460 K HN 0.587 nan 8.250 nan 0.000 0.504 461 G N 2.518 111.219 108.800 -0.165 0.000 2.159 461 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.256 461 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.256 461 G C -0.132 174.704 174.900 -0.107 0.000 0.977 461 G CA 0.379 45.360 45.100 -0.199 0.000 0.652 461 G HN 0.426 nan 8.290 nan 0.000 0.531 462 D N 0.788 121.159 120.400 -0.048 0.000 2.608 462 D HA 0.401 5.041 4.640 -0.001 0.000 0.224 462 D C 1.771 178.092 176.300 0.035 0.000 1.123 462 D CA 0.168 54.168 54.000 -0.000 0.000 1.030 462 D CB -0.754 40.055 40.800 0.015 0.000 1.093 462 D HN 0.644 nan 8.370 nan 0.000 0.497 463 I N -1.845 118.741 120.570 0.027 0.000 4.403 463 I HA 0.276 4.445 4.170 -0.001 0.000 0.331 463 I C 1.106 177.271 176.117 0.080 0.000 1.327 463 I CA -0.391 60.964 61.300 0.092 0.000 1.175 463 I CB 0.431 38.500 38.000 0.115 0.000 1.165 463 I HN -0.101 nan 8.210 nan 0.000 0.413 464 E N 2.029 122.257 120.200 0.047 0.000 2.046 464 E HA 0.082 4.431 4.350 -0.001 0.000 0.190 464 E C 0.405 177.031 176.600 0.044 0.000 0.982 464 E CA 1.035 57.462 56.400 0.046 0.000 0.800 464 E CB 0.426 30.148 29.700 0.036 0.000 0.756 464 E HN 0.384 nan 8.360 nan 0.000 0.449 465 L N 0.833 122.083 121.223 0.045 0.000 2.491 465 L HA 0.109 4.448 4.340 -0.001 0.000 0.260 465 L C -0.347 176.556 176.870 0.055 0.000 1.200 465 L CA -0.266 54.600 54.840 0.043 0.000 0.882 465 L CB 0.705 42.784 42.059 0.032 0.000 1.058 465 L HN -0.046 nan 8.230 nan 0.000 0.487 466 S N 0.674 116.413 115.700 0.064 0.000 2.572 466 S HA 0.257 4.726 4.470 -0.001 0.000 0.262 466 S C 0.591 175.227 174.600 0.061 0.000 1.375 466 S CA 0.308 58.545 58.200 0.062 0.000 0.996 466 S CB 0.031 63.274 63.200 0.070 0.000 0.892 466 S HN 0.832 nan 8.310 nan 0.000 0.562 467 T N -0.706 113.878 114.554 0.050 0.000 2.918 467 T HA 0.370 4.719 4.350 -0.001 0.000 0.302 467 T C -2.572 172.158 174.700 0.049 0.000 1.045 467 T CA -1.558 60.568 62.100 0.044 0.000 1.114 467 T CB -0.044 68.841 68.868 0.030 0.000 0.965 467 T HN 0.641 nan 8.240 nan 0.000 0.540 468 P HA 0.119 nan 4.420 nan 0.000 0.260 468 P C -0.778 176.552 177.300 0.051 0.000 1.172 468 P CA 0.000 63.126 63.100 0.042 0.000 0.760 468 P CB 0.210 31.908 31.700 -0.003 0.000 0.773 469 I N 5.169 125.795 120.570 0.093 0.000 2.533 469 I HA 0.320 4.489 4.170 -0.001 0.000 0.290 469 I C -2.279 173.923 176.117 0.141 0.000 1.056 469 I CA -3.103 58.263 61.300 0.110 0.000 1.057 469 I CB 2.021 40.099 38.000 0.130 0.000 1.240 469 I HN 0.147 nan 8.210 nan 0.000 0.423 470 P HA 0.232 nan 4.420 nan 0.000 0.276 470 P C -0.354 176.954 177.300 0.013 0.000 1.230 470 P CA -0.404 62.727 63.100 0.053 0.000 0.776 470 P CB 0.984 32.663 31.700 -0.034 0.000 0.888 471 L N 4.061 125.224 121.223 -0.100 0.000 2.559 471 L HA -0.031 4.308 4.340 -0.001 0.000 0.282 471 L C 1.056 177.686 176.870 -0.400 0.000 1.232 471 L CA 0.253 54.865 54.840 -0.380 0.000 0.885 471 L CB -0.984 40.846 42.059 -0.381 0.000 1.131 471 L HN 0.478 nan 8.230 nan 0.000 0.498 472 F N 1.377 120.663 119.950 -1.107 0.000 2.987 472 F HA -0.304 4.222 4.527 -0.001 0.000 0.309 472 F C 1.617 177.186 175.800 -0.384 0.000 0.724 472 F CA 1.010 58.376 58.000 -1.056 0.000 1.079 472 F CB -1.958 36.461 39.000 -0.968 0.000 1.432 472 F HN 0.841 nan 8.300 nan 0.000 0.351 473 G N -1.547 107.225 108.800 -0.047 0.000 2.205 473 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.261 473 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.261 473 G C 0.221 175.061 174.900 -0.100 0.000 0.980 473 G CA -0.077 45.114 45.100 0.153 0.000 0.632 473 G HN 0.342 nan 8.290 nan 0.000 0.533 474 F N 2.139 121.806 119.950 -0.471 0.000 2.519 474 F HA 0.257 4.783 4.527 -0.001 0.000 0.381 474 F C 1.665 176.967 175.800 -0.831 0.000 1.076 474 F CA -0.104 57.358 58.000 -0.898 0.000 1.095 474 F CB 0.535 39.209 39.000 -0.542 0.000 1.046 474 F HN 0.074 nan 8.300 nan 0.000 0.559 475 E N 2.616 122.198 120.200 -1.031 0.000 2.158 475 E HA -0.086 4.263 4.350 -0.001 0.000 0.191 475 E C 0.551 176.952 176.600 -0.331 0.000 0.982 475 E CA 0.846 56.976 56.400 -0.450 0.000 0.823 475 E CB 0.217 29.777 29.700 -0.234 0.000 0.766 475 E HN 0.685 nan 8.360 nan 0.000 0.468 476 K N -0.934 119.231 120.400 -0.391 0.000 2.607 476 K HA 0.353 4.672 4.320 -0.001 0.000 0.287 476 K C -0.939 175.392 176.600 -0.447 0.000 0.996 476 K CA -0.819 55.253 56.287 -0.359 0.000 0.876 476 K CB 0.884 33.208 32.500 -0.294 0.000 1.496 476 K HN -0.225 nan 8.250 nan 0.000 0.415 477 I N 2.032 122.366 120.570 -0.395 0.000 2.519 477 I HA 0.186 4.355 4.170 -0.001 0.000 0.287 477 I C -0.363 175.560 176.117 -0.323 0.000 1.047 477 I CA -0.004 61.143 61.300 -0.254 0.000 1.381 477 I CB 0.551 38.459 38.000 -0.153 0.000 1.417 477 I HN 0.458 nan 8.210 nan 0.000 0.540 478 H N 6.974 126.110 119.070 0.110 0.000 2.489 478 H HA 0.364 4.919 4.556 -0.001 0.000 0.343 478 H C -2.242 173.083 175.328 -0.006 0.000 1.086 478 H CA -1.823 54.238 56.048 0.022 0.000 1.198 478 H CB 1.273 31.022 29.762 -0.021 0.000 1.490 478 H HN 0.374 nan 8.280 nan 0.000 0.504 479 P HA -0.129 nan 4.420 nan 0.000 0.264 479 P C 0.264 177.591 177.300 0.045 0.000 1.179 479 P CA 0.342 63.487 63.100 0.075 0.000 0.763 479 P CB 0.798 32.535 31.700 0.061 0.000 0.806 480 H N 6.098 125.155 119.070 -0.022 0.000 2.964 480 H HA 0.015 4.570 4.556 -0.001 0.000 0.328 480 H C -1.103 174.201 175.328 -0.040 0.000 1.030 480 H CA -1.067 54.947 56.048 -0.056 0.000 1.445 480 H CB 0.698 30.453 29.762 -0.011 0.000 1.449 480 H HN 0.297 nan 8.280 nan 0.000 0.581 481 P HA -0.144 nan 4.420 nan 0.000 0.218 481 P C 0.675 178.011 177.300 0.061 0.000 1.148 481 P CA 1.452 64.485 63.100 -0.112 0.000 0.822 481 P CB 0.577 32.146 31.700 -0.218 0.000 0.784 482 R N -0.148 120.530 120.500 0.297 0.000 2.040 482 R HA 0.172 4.511 4.340 -0.001 0.000 0.209 482 R C 0.923 177.331 176.300 0.180 0.000 1.281 482 R CA 0.197 56.441 56.100 0.240 0.000 1.064 482 R CB -0.804 29.651 30.300 0.259 0.000 0.950 482 R HN 0.027 nan 8.270 nan 0.000 0.462 483 V N 1.279 121.269 119.914 0.128 0.000 2.432 483 V HA 0.308 4.427 4.120 -0.001 0.000 0.275 483 V C -1.002 175.118 176.094 0.043 0.000 1.043 483 V CA -0.249 62.044 62.300 -0.013 0.000 0.925 483 V CB 1.206 32.939 31.823 -0.149 0.000 0.985 483 V HN 0.272 nan 8.190 nan 0.000 0.466 484 Q N 5.273 125.114 119.800 0.068 0.000 2.786 484 Q HA 0.292 4.632 4.340 -0.001 0.000 0.240 484 Q C -1.492 174.562 176.000 0.090 0.000 0.928 484 Q CA -0.460 55.398 55.803 0.092 0.000 0.721 484 Q CB 1.874 30.654 28.738 0.069 0.000 1.318 484 Q HN 0.941 nan 8.270 nan 0.000 0.474 485 Y N 1.628 121.945 120.300 0.030 0.000 2.632 485 Y HA -0.046 4.504 4.550 -0.001 0.000 0.329 485 Y C 0.960 176.878 175.900 0.030 0.000 1.174 485 Y CA 1.292 59.411 58.100 0.032 0.000 1.469 485 Y CB 0.724 39.212 38.460 0.048 0.000 1.242 485 Y HN 0.588 nan 8.280 nan 0.000 0.540 486 S N 2.807 118.248 115.700 -0.432 0.000 2.666 486 S HA 0.322 4.791 4.470 -0.001 0.000 0.239 486 S C 0.087 174.506 174.600 -0.302 0.000 1.031 486 S CA -0.599 57.453 58.200 -0.247 0.000 1.015 486 S CB 0.104 63.206 63.200 -0.163 0.000 0.981 486 S HN 0.542 nan 8.310 nan 0.000 0.547 487 K N 2.653 122.668 120.400 -0.641 0.000 2.102 487 K HA 0.389 4.708 4.320 -0.001 0.000 0.244 487 K C -2.648 173.956 176.600 0.007 0.000 1.021 487 K CA -2.249 53.843 56.287 -0.326 0.000 0.913 487 K CB -0.086 32.185 32.500 -0.382 0.000 1.062 487 K HN 0.125 nan 8.250 nan 0.000 0.485 488 P HA -0.025 nan 4.420 nan 0.000 0.265 488 P C -0.686 176.709 177.300 0.158 0.000 1.187 488 P CA 0.791 63.937 63.100 0.077 0.000 0.766 488 P CB 0.391 32.101 31.700 0.017 0.000 0.820 489 I N 1.852 122.489 120.570 0.112 0.000 2.608 489 I HA 0.329 4.498 4.170 -0.001 0.000 0.295 489 I C -0.185 175.968 176.117 0.061 0.000 1.049 489 I CA -0.834 60.522 61.300 0.094 0.000 1.063 489 I CB 2.351 40.413 38.000 0.105 0.000 1.248 489 I HN 0.336 nan 8.210 nan 0.000 0.424 490 C N 6.794 126.124 119.300 0.050 0.000 2.316 490 C HA 0.671 5.130 4.460 -0.001 0.000 0.324 490 C C -0.327 174.712 174.990 0.080 0.000 1.226 490 C CA -0.287 58.768 59.018 0.061 0.000 1.450 490 C CB 0.265 28.034 27.740 0.048 0.000 2.123 490 C HN 0.537 nan 8.230 nan 0.000 0.454 491 V N 7.871 127.850 119.914 0.108 0.000 2.394 491 V HA 0.397 4.516 4.120 -0.001 0.000 0.282 491 V C 0.045 176.226 176.094 0.144 0.000 1.031 491 V CA -0.304 62.085 62.300 0.150 0.000 0.881 491 V CB 1.439 33.376 31.823 0.189 0.000 0.982 491 V HN 0.736 nan 8.190 nan 0.000 0.451 492 L N 6.778 128.093 121.223 0.153 0.000 2.264 492 L HA 0.618 4.957 4.340 -0.001 0.000 0.289 492 L C -0.075 176.886 176.870 0.151 0.000 1.044 492 L CA -0.241 54.705 54.840 0.177 0.000 0.807 492 L CB 0.884 43.087 42.059 0.241 0.000 1.192 492 L HN 0.633 nan 8.230 nan 0.000 0.425 493 I N 0.337 120.980 120.570 0.122 0.000 2.750 493 I HA 0.665 4.835 4.170 -0.001 0.000 0.308 493 I C -0.777 175.374 176.117 0.056 0.000 1.016 493 I CA -0.652 60.697 61.300 0.083 0.000 1.098 493 I CB 2.112 40.142 38.000 0.050 0.000 1.279 493 I HN 0.560 nan 8.210 nan 0.000 0.454 494 N N 0.963 119.681 118.700 0.030 0.000 2.455 494 N HA 0.303 5.042 4.740 -0.001 0.000 0.278 494 N C -0.231 175.234 175.510 -0.075 0.000 1.291 494 N CA -0.615 52.451 53.050 0.027 0.000 0.780 494 N CB 1.879 40.447 38.487 0.136 0.000 1.520 494 N HN 0.662 nan 8.380 nan 0.000 0.486 495 E N 0.038 120.194 120.200 -0.073 0.000 2.516 495 E HA -0.045 4.304 4.350 -0.001 0.000 0.199 495 E C -0.145 176.245 176.600 -0.351 0.000 1.069 495 E CA 0.837 57.139 56.400 -0.165 0.000 0.876 495 E CB -0.074 29.585 29.700 -0.069 0.000 0.843 495 E HN 0.513 nan 8.360 nan 0.000 0.530 496 Q N 0.840 120.482 119.800 -0.265 0.000 2.302 496 Q HA 0.164 4.503 4.340 -0.001 0.000 0.332 496 Q C -0.757 175.009 176.000 -0.391 0.000 0.913 496 Q CA -0.199 55.418 55.803 -0.309 0.000 1.098 496 Q CB 0.504 29.319 28.738 0.128 0.000 1.236 496 Q HN 0.120 nan 8.270 nan 0.000 0.436 497 D N 0.511 120.497 120.400 -0.690 0.000 2.408 497 D HA 0.380 5.019 4.640 -0.001 0.000 0.243 497 D C -0.756 175.132 176.300 -0.686 0.000 1.075 497 D CA -0.107 53.669 54.000 -0.373 0.000 0.832 497 D CB 0.919 41.622 40.800 -0.162 0.000 1.162 497 D HN -0.015 nan 8.370 nan 0.000 0.515 498 F N 0.423 120.316 119.950 -0.095 0.000 2.593 498 F HA 0.307 4.833 4.527 -0.001 0.000 0.320 498 F C 1.663 177.349 175.800 -0.190 0.000 1.060 498 F CA -0.740 57.162 58.000 -0.164 0.000 0.940 498 F CB 1.305 40.218 39.000 -0.144 0.000 1.268 498 F HN 0.403 nan 8.300 nan 0.000 0.475 499 S N -0.217 115.386 115.700 -0.163 0.000 4.149 499 S HA -0.432 4.037 4.470 -0.001 0.000 0.539 499 S C 1.577 175.697 174.600 -0.799 0.000 1.811 499 S CA 1.229 59.153 58.200 -0.460 0.000 4.174 499 S CB -1.952 61.293 63.200 0.076 0.000 0.756 499 S HN 0.841 nan 8.310 nan 0.000 0.470 500 C N 3.374 122.473 119.300 -0.336 0.000 2.403 500 C HA 0.165 4.624 4.460 -0.001 0.000 0.282 500 C C 3.264 178.061 174.990 -0.323 0.000 1.297 500 C CA 1.223 60.073 59.018 -0.280 0.000 1.785 500 C CB -2.356 25.221 27.740 -0.272 0.000 1.963 500 C HN 0.953 nan 8.230 nan 0.000 0.507 501 A N -0.554 122.221 122.820 -0.075 0.000 2.167 501 A HA -0.078 4.241 4.320 -0.001 0.000 0.214 501 A C 1.841 179.422 177.584 -0.005 0.000 1.151 501 A CA 1.295 53.397 52.037 0.109 0.000 0.735 501 A CB -0.299 18.811 19.000 0.184 0.000 0.802 501 A HN 0.591 nan 8.150 nan 0.000 0.467 502 D N -0.758 119.526 120.400 -0.194 0.000 2.197 502 D HA 0.020 4.659 4.640 -0.001 0.000 0.212 502 D C 1.586 177.892 176.300 0.009 0.000 0.963 502 D CA 0.807 54.705 54.000 -0.171 0.000 0.864 502 D CB -0.248 40.352 40.800 -0.334 0.000 1.009 502 D HN 0.571 nan 8.370 nan 0.000 0.479 503 F N 0.505 120.469 119.950 0.024 0.000 2.171 503 F HA -0.171 4.355 4.527 -0.001 0.000 0.300 503 F C 2.329 178.153 175.800 0.041 0.000 1.090 503 F CA 0.131 58.142 58.000 0.019 0.000 1.293 503 F CB -0.280 38.732 39.000 0.020 0.000 1.013 503 F HN -0.095 nan 8.300 nan 0.000 0.486 504 F N 2.615 122.599 119.950 0.057 0.000 2.046 504 F HA -0.131 4.395 4.527 -0.001 0.000 0.297 504 F C -0.439 175.396 175.800 0.058 0.000 1.123 504 F CA 1.334 59.351 58.000 0.028 0.000 1.199 504 F CB -1.844 37.176 39.000 0.033 0.000 0.972 504 F HN -0.223 nan 8.300 nan 0.000 0.474 505 P HA -0.120 nan 4.420 nan 0.000 0.217 505 P C 2.110 179.387 177.300 -0.038 0.000 1.150 505 P CA 1.583 64.690 63.100 0.012 0.000 0.832 505 P CB -0.176 31.573 31.700 0.081 0.000 0.787 506 V N 0.317 120.242 119.914 0.020 0.000 2.332 506 V HA -0.197 3.922 4.120 -0.001 0.000 0.248 506 V C 2.813 178.882 176.094 -0.041 0.000 1.055 506 V CA 1.762 64.066 62.300 0.006 0.000 1.038 506 V CB -0.966 30.902 31.823 0.074 0.000 0.651 506 V HN -0.047 nan 8.190 nan 0.000 0.450 507 V N -0.605 119.278 119.914 -0.053 0.000 2.379 507 V HA -0.184 3.935 4.120 -0.001 0.000 0.245 507 V C 2.198 178.216 176.094 -0.128 0.000 1.044 507 V CA 1.694 63.936 62.300 -0.096 0.000 1.036 507 V CB -0.399 31.370 31.823 -0.090 0.000 0.664 507 V HN 0.430 nan 8.190 nan 0.000 0.453 508 L N -0.171 120.937 121.223 -0.190 0.000 2.056 508 L HA -0.163 4.176 4.340 -0.001 0.000 0.207 508 L C 2.566 179.398 176.870 -0.063 0.000 1.078 508 L CA 1.767 56.505 54.840 -0.169 0.000 0.749 508 L CB -0.555 41.338 42.059 -0.277 0.000 0.901 508 L HN 0.301 nan 8.230 nan 0.000 0.433 509 K N 0.354 120.722 120.400 -0.053 0.000 2.025 509 K HA -0.183 4.136 4.320 -0.001 0.000 0.207 509 K C 1.497 178.114 176.600 0.029 0.000 1.049 509 K CA 1.818 58.107 56.287 0.002 0.000 0.933 509 K CB 0.038 32.466 32.500 -0.120 0.000 0.714 509 K HN 0.154 nan 8.250 nan 0.000 0.438 510 D N 0.385 120.778 120.400 -0.012 0.000 2.310 510 D HA -0.076 4.563 4.640 -0.001 0.000 0.212 510 D C 1.064 177.351 176.300 -0.022 0.000 0.965 510 D CA 0.720 54.714 54.000 -0.010 0.000 0.879 510 D CB 0.024 40.775 40.800 -0.081 0.000 0.921 510 D HN 0.230 nan 8.370 nan 0.000 0.510 511 N N 0.504 119.185 118.700 -0.032 0.000 2.236 511 N HA -0.039 4.701 4.740 -0.001 0.000 0.196 511 N C -0.622 174.880 175.510 -0.013 0.000 1.114 511 N CA 0.236 53.264 53.050 -0.037 0.000 0.859 511 N CB 0.747 39.197 38.487 -0.061 0.000 0.982 511 N HN -0.048 nan 8.380 nan 0.000 0.493 512 D N 0.019 120.428 120.400 0.015 0.000 2.746 512 D HA -0.173 4.466 4.640 -0.001 0.000 0.236 512 D C 1.005 177.310 176.300 0.008 0.000 1.129 512 D CA 0.354 54.370 54.000 0.027 0.000 0.691 512 D CB -0.821 39.985 40.800 0.010 0.000 1.077 512 D HN 0.244 nan 8.370 nan 0.000 0.432 513 R N -0.567 119.935 120.500 0.003 0.000 2.189 513 R HA 0.430 4.769 4.340 -0.001 0.000 0.203 513 R C 0.712 177.021 176.300 0.014 0.000 1.012 513 R CA 1.261 57.360 56.100 -0.002 0.000 1.015 513 R CB 0.630 30.917 30.300 -0.021 0.000 0.938 513 R HN 0.324 nan 8.270 nan 0.000 0.472 514 A N 0.156 122.993 122.820 0.029 0.000 2.569 514 A HA 0.474 4.793 4.320 -0.001 0.000 0.290 514 A C -1.507 176.146 177.584 0.115 0.000 1.136 514 A CA -0.641 51.426 52.037 0.051 0.000 0.710 514 A CB 1.280 20.298 19.000 0.030 0.000 1.303 514 A HN 0.136 nan 8.150 nan 0.000 0.413 515 L N 2.033 123.321 121.223 0.108 0.000 2.275 515 L HA 0.441 4.781 4.340 -0.001 0.000 0.288 515 L C -1.128 175.893 176.870 0.251 0.000 1.046 515 L CA -0.698 54.253 54.840 0.185 0.000 0.805 515 L CB 0.666 42.753 42.059 0.047 0.000 1.193 515 L HN 0.523 nan 8.230 nan 0.000 0.426 516 I N 5.989 126.798 120.570 0.399 0.000 2.331 516 I HA 0.401 4.571 4.170 -0.001 0.000 0.292 516 I C 0.097 176.280 176.117 0.110 0.000 0.998 516 I CA -0.461 60.913 61.300 0.123 0.000 1.267 516 I CB 1.468 39.419 38.000 -0.083 0.000 1.386 516 I HN 0.220 nan 8.210 nan 0.000 0.476 517 V N 4.469 124.438 119.914 0.092 0.000 2.876 517 V HA 0.971 5.091 4.120 -0.001 0.000 0.312 517 V C 0.451 176.600 176.094 0.092 0.000 1.085 517 V CA -0.012 62.336 62.300 0.080 0.000 0.945 517 V CB 1.582 33.442 31.823 0.062 0.000 1.017 517 V HN 1.122 nan 8.190 nan 0.000 0.428 518 G N 3.156 112.001 108.800 0.075 0.000 2.348 518 G HA2 0.143 4.102 3.960 -0.001 0.000 0.199 518 G HA3 0.143 4.102 3.960 -0.001 0.000 0.199 518 G C -0.218 174.670 174.900 -0.020 0.000 1.235 518 G CA 0.082 45.212 45.100 0.050 0.000 1.264 518 G HN 1.358 nan 8.290 nan 0.000 0.543 519 T N -1.563 112.960 114.554 -0.052 0.000 2.908 519 T HA 0.707 5.057 4.350 -0.001 0.000 0.290 519 T C 0.228 174.905 174.700 -0.038 0.000 1.034 519 T CA 0.044 62.114 62.100 -0.050 0.000 1.010 519 T CB 2.309 71.134 68.868 -0.071 0.000 1.068 519 T HN 0.935 nan 8.240 nan 0.000 0.481 520 R N 1.605 122.085 120.500 -0.033 0.000 2.566 520 R HA 0.120 4.459 4.340 -0.001 0.000 0.273 520 R C 0.595 176.854 176.300 -0.068 0.000 0.981 520 R CA 0.160 56.238 56.100 -0.038 0.000 1.091 520 R CB -0.021 30.268 30.300 -0.018 0.000 0.924 520 R HN 0.930 nan 8.270 nan 0.000 0.411 521 T N 1.525 116.027 114.554 -0.086 0.000 2.802 521 T HA 0.194 4.543 4.350 -0.001 0.000 0.305 521 T C 1.501 176.080 174.700 -0.201 0.000 1.053 521 T CA -0.270 61.731 62.100 -0.164 0.000 1.058 521 T CB 1.249 70.029 68.868 -0.146 0.000 0.988 521 T HN 0.677 nan 8.240 nan 0.000 0.539 522 A N 0.963 123.541 122.820 -0.402 0.000 1.883 522 A HA 0.365 4.684 4.320 -0.001 0.000 0.217 522 A C 1.937 179.510 177.584 -0.018 0.000 1.186 522 A CA 1.274 53.080 52.037 -0.384 0.000 0.624 522 A CB -1.470 16.862 19.000 -1.114 0.000 0.822 522 A HN 2.422 nan 8.150 nan 0.000 0.444 523 G N -2.385 106.373 108.800 -0.069 0.000 2.288 523 G HA2 0.256 4.215 3.960 -0.001 0.000 0.205 523 G HA3 0.256 4.215 3.960 -0.001 0.000 0.205 523 G C 0.081 175.011 174.900 0.051 0.000 1.071 523 G CA 0.103 45.210 45.100 0.011 0.000 0.788 523 G HN 1.560 nan 8.290 nan 0.000 0.491 524 A N 0.583 123.392 122.820 -0.018 0.000 2.910 524 A HA 0.712 5.032 4.320 -0.001 0.000 0.316 524 A C 1.141 178.602 177.584 -0.205 0.000 1.493 524 A CA 0.552 52.500 52.037 -0.147 0.000 1.150 524 A CB 0.194 19.009 19.000 -0.310 0.000 1.159 524 A HN 1.722 nan 8.150 nan 0.000 0.526 525 G N 1.221 109.969 108.800 -0.085 0.000 3.939 525 G HA2 0.514 4.473 3.960 -0.001 0.000 0.268 525 G HA3 0.514 4.473 3.960 -0.001 0.000 0.268 525 G C 0.272 175.271 174.900 0.165 0.000 1.172 525 G CA 0.303 45.443 45.100 0.066 0.000 1.614 525 G HN 1.203 nan 8.290 nan 0.000 0.639 526 G N 0.142 109.131 108.800 0.314 0.000 2.579 526 G HA2 0.507 4.466 3.960 -0.001 0.000 0.292 526 G HA3 0.507 4.466 3.960 -0.001 0.000 0.292 526 G C -0.691 174.483 174.900 0.456 0.000 1.484 526 G CA -0.990 44.309 45.100 0.330 0.000 0.813 526 G HN 0.558 nan 8.290 nan 0.000 0.515 527 F N 0.680 120.832 119.950 0.336 0.000 2.418 527 F HA 0.729 5.256 4.527 -0.001 0.000 0.341 527 F C 0.215 176.074 175.800 0.098 0.000 1.120 527 F CA -1.259 56.859 58.000 0.197 0.000 1.232 527 F CB 0.751 39.793 39.000 0.071 0.000 1.175 527 F HN 0.318 nan 8.300 nan 0.000 0.569 528 V N 3.604 123.567 119.914 0.082 0.000 2.863 528 V HA 0.614 4.734 4.120 -0.001 0.000 0.307 528 V C -0.302 175.940 176.094 0.245 0.000 1.061 528 V CA -0.835 61.388 62.300 -0.129 0.000 1.024 528 V CB 1.007 32.529 31.823 -0.503 0.000 1.049 528 V HN 0.903 nan 8.190 nan 0.000 0.471 529 F N 0.085 120.058 119.950 0.038 0.000 2.654 529 F HA 0.681 5.207 4.527 -0.001 0.000 0.308 529 F C -1.005 174.816 175.800 0.034 0.000 1.108 529 F CA -1.053 56.997 58.000 0.083 0.000 0.957 529 F CB 1.567 40.670 39.000 0.171 0.000 1.309 529 F HN 0.375 nan 8.300 nan 0.000 0.446 530 N N 1.337 120.126 118.700 0.149 0.000 2.335 530 N HA 0.711 5.450 4.740 -0.001 0.000 0.304 530 N C -1.663 173.959 175.510 0.187 0.000 1.135 530 N CA -0.656 52.416 53.050 0.035 0.000 0.817 530 N CB 2.819 41.312 38.487 0.009 0.000 1.294 530 N HN 0.505 nan 8.380 nan 0.000 0.497 531 V N 1.552 121.554 119.914 0.147 0.000 2.588 531 V HA 0.389 4.508 4.120 -0.001 0.000 0.304 531 V C -0.649 175.612 176.094 0.279 0.000 1.042 531 V CA -0.700 61.761 62.300 0.269 0.000 0.877 531 V CB 1.900 33.922 31.823 0.331 0.000 0.996 531 V HN 0.607 nan 8.190 nan 0.000 0.425 532 Q N 3.973 123.954 119.800 0.303 0.000 2.413 532 Q HA 0.911 5.250 4.340 -0.001 0.000 0.276 532 Q C -1.187 175.050 176.000 0.395 0.000 1.099 532 Q CA -0.576 55.367 55.803 0.233 0.000 0.814 532 Q CB 3.033 31.840 28.738 0.115 0.000 1.379 532 Q HN 0.758 nan 8.270 nan 0.000 0.436 533 F N -2.066 117.933 119.950 0.082 0.000 2.690 533 F HA 0.618 5.144 4.527 -0.001 0.000 0.311 533 F C -2.995 172.818 175.800 0.022 0.000 1.111 533 F CA -2.307 55.703 58.000 0.017 0.000 1.003 533 F CB 0.536 39.477 39.000 -0.098 0.000 1.283 533 F HN 0.280 nan 8.300 nan 0.000 0.442 534 P HA 0.320 nan 4.420 nan 0.000 0.268 534 P C -1.402 175.889 177.300 -0.015 0.000 1.205 534 P CA 0.070 63.163 63.100 -0.012 0.000 0.771 534 P CB 1.225 32.936 31.700 0.019 0.000 0.858 535 N N -0.032 118.635 118.700 -0.053 0.000 3.322 535 N HA 0.247 4.987 4.740 -0.001 0.000 0.233 535 N C -0.384 175.134 175.510 0.014 0.000 1.399 535 N CA -0.993 52.058 53.050 0.000 0.000 0.894 535 N CB 0.956 39.406 38.487 -0.062 0.000 1.440 535 N HN 0.110 nan 8.380 nan 0.000 0.503 536 R N -0.873 119.656 120.500 0.048 0.000 2.468 536 R HA 0.255 4.594 4.340 -0.001 0.000 0.280 536 R C -0.008 176.334 176.300 0.070 0.000 0.963 536 R CA 0.062 56.190 56.100 0.046 0.000 1.083 536 R CB 0.327 30.648 30.300 0.035 0.000 1.200 536 R HN 0.654 nan 8.270 nan 0.000 0.541 537 T N -0.377 114.235 114.554 0.097 0.000 3.107 537 T HA 0.090 4.439 4.350 -0.001 0.000 0.249 537 T C 1.156 175.955 174.700 0.165 0.000 1.096 537 T CA 0.817 62.990 62.100 0.121 0.000 1.012 537 T CB 0.674 69.637 68.868 0.158 0.000 0.977 537 T HN 0.521 nan 8.240 nan 0.000 0.527 538 G N 2.099 111.006 108.800 0.179 0.000 2.160 538 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.244 538 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.244 538 G C 0.058 175.155 174.900 0.329 0.000 1.022 538 G CA -0.419 44.857 45.100 0.294 0.000 0.741 538 G HN 0.582 nan 8.290 nan 0.000 0.508 539 I N 0.292 120.947 120.570 0.141 0.000 2.452 539 I HA 0.197 4.366 4.170 -0.001 0.000 0.287 539 I C 1.431 177.301 176.117 -0.412 0.000 1.079 539 I CA 0.180 61.393 61.300 -0.144 0.000 1.387 539 I CB 1.349 39.234 38.000 -0.192 0.000 1.404 539 I HN 0.224 nan 8.210 nan 0.000 0.522 540 K N 4.126 124.075 120.400 -0.750 0.000 2.141 540 K HA 0.137 4.456 4.320 -0.001 0.000 0.202 540 K C 0.035 176.308 176.600 -0.545 0.000 1.045 540 K CA 0.986 56.607 56.287 -1.110 0.000 0.971 540 K CB 0.508 32.143 32.500 -1.441 0.000 0.795 540 K HN 0.684 nan 8.250 nan 0.000 0.459 541 T N -0.724 113.561 114.554 -0.449 0.000 2.889 541 T HA 0.266 4.615 4.350 -0.001 0.000 0.315 541 T C -1.936 172.636 174.700 -0.213 0.000 1.291 541 T CA -0.732 61.222 62.100 -0.244 0.000 1.028 541 T CB 1.731 70.473 68.868 -0.210 0.000 1.235 541 T HN 0.212 nan 8.240 nan 0.000 0.491 542 C N 3.829 123.081 119.300 -0.080 0.000 2.407 542 C HA 0.744 5.204 4.460 -0.001 0.000 0.328 542 C C 0.278 175.183 174.990 -0.141 0.000 1.137 542 C CA -0.510 58.456 59.018 -0.086 0.000 1.390 542 C CB -1.006 26.760 27.740 0.043 0.000 1.989 542 C HN 0.986 nan 8.230 nan 0.000 0.432 543 S N 6.456 122.037 115.700 -0.197 0.000 2.562 543 S HA 0.839 5.308 4.470 -0.001 0.000 0.275 543 S C -0.587 173.799 174.600 -0.357 0.000 1.281 543 S CA -0.509 57.521 58.200 -0.282 0.000 1.045 543 S CB 0.997 64.074 63.200 -0.206 0.000 0.962 543 S HN 0.806 nan 8.310 nan 0.000 0.503 544 L N 0.959 121.787 121.223 -0.659 0.000 2.301 544 L HA 0.604 4.943 4.340 -0.001 0.000 0.249 544 L C -0.496 176.103 176.870 -0.452 0.000 1.069 544 L CA -0.988 53.528 54.840 -0.539 0.000 0.865 544 L CB 2.418 44.089 42.059 -0.648 0.000 1.467 544 L HN 0.640 nan 8.230 nan 0.000 0.419 545 T N -0.116 114.395 114.554 -0.072 0.000 2.772 545 T HA 0.284 4.633 4.350 -0.001 0.000 0.288 545 T C 0.682 175.290 174.700 -0.153 0.000 0.994 545 T CA -0.351 61.679 62.100 -0.117 0.000 0.951 545 T CB 1.472 70.258 68.868 -0.136 0.000 0.933 545 T HN 0.835 nan 8.240 nan 0.000 0.447 546 G N 1.963 110.539 108.800 -0.373 0.000 2.985 546 G HA2 0.316 4.276 3.960 -0.001 0.000 0.209 546 G HA3 0.316 4.276 3.960 -0.001 0.000 0.209 546 G C 0.513 174.996 174.900 -0.694 0.000 1.165 546 G CA 0.008 44.755 45.100 -0.588 0.000 0.776 546 G HN 0.790 nan 8.290 nan 0.000 0.541 547 S N -1.316 114.019 115.700 -0.608 0.000 2.625 547 S HA 0.692 5.161 4.470 -0.001 0.000 0.271 547 S C -1.423 173.131 174.600 -0.076 0.000 1.161 547 S CA -0.844 57.255 58.200 -0.167 0.000 0.820 547 S CB 1.890 65.198 63.200 0.180 0.000 1.137 547 S HN 0.007 nan 8.310 nan 0.000 0.470 548 L N 1.737 122.953 121.223 -0.011 0.000 2.388 548 L HA 0.673 5.012 4.340 -0.001 0.000 0.267 548 L C 0.329 177.143 176.870 -0.095 0.000 0.995 548 L CA -0.751 54.038 54.840 -0.084 0.000 0.864 548 L CB 1.223 43.202 42.059 -0.132 0.000 1.216 548 L HN 1.075 nan 8.230 nan 0.000 0.430 549 A N 3.913 126.591 122.820 -0.237 0.000 2.498 549 A HA 0.482 4.801 4.320 -0.001 0.000 0.239 549 A C -0.350 177.078 177.584 -0.260 0.000 1.068 549 A CA -0.008 51.680 52.037 -0.581 0.000 0.766 549 A CB 0.600 19.299 19.000 -0.502 0.000 1.003 549 A HN 0.422 nan 8.150 nan 0.000 0.497 550 V N 4.413 124.137 119.914 -0.316 0.000 2.443 550 V HA 0.286 4.405 4.120 -0.001 0.000 0.293 550 V C 0.367 176.282 176.094 -0.298 0.000 1.021 550 V CA -0.576 61.543 62.300 -0.301 0.000 0.848 550 V CB 1.447 33.120 31.823 -0.251 0.000 0.998 550 V HN 1.031 nan 8.190 nan 0.000 0.424 551 R N 2.207 122.526 120.500 -0.302 0.000 2.679 551 R HA 0.162 4.501 4.340 -0.001 0.000 0.269 551 R C 1.462 177.531 176.300 -0.386 0.000 1.076 551 R CA -0.199 55.709 56.100 -0.319 0.000 1.160 551 R CB 0.858 30.989 30.300 -0.282 0.000 1.054 551 R HN 0.851 nan 8.270 nan 0.000 0.507 552 E N 1.323 121.250 120.200 -0.455 0.000 2.068 552 E HA -0.287 4.063 4.350 -0.001 0.000 0.207 552 E C 0.573 176.984 176.600 -0.316 0.000 1.032 552 E CA 2.059 58.232 56.400 -0.377 0.000 0.839 552 E CB -0.046 29.438 29.700 -0.360 0.000 0.758 552 E HN 0.694 nan 8.360 nan 0.000 0.457 553 H N -0.866 118.141 119.070 -0.105 0.000 2.708 553 H HA 0.484 5.039 4.556 -0.001 0.000 0.309 553 H C 0.707 175.955 175.328 -0.133 0.000 1.084 553 H CA 0.230 56.219 56.048 -0.097 0.000 1.165 553 H CB -0.324 29.394 29.762 -0.073 0.000 1.388 553 H HN 0.436 nan 8.280 nan 0.000 0.553 554 G N 0.156 108.902 108.800 -0.088 0.000 2.642 554 G HA2 0.201 4.161 3.960 -0.001 0.000 0.231 554 G HA3 0.201 4.161 3.960 -0.001 0.000 0.231 554 G C -0.159 174.616 174.900 -0.209 0.000 1.338 554 G CA 0.550 45.535 45.100 -0.192 0.000 0.883 554 G HN 1.586 nan 8.290 nan 0.000 0.570 555 A N -2.552 120.029 122.820 -0.399 0.000 2.429 555 A HA 0.340 4.659 4.320 -0.001 0.000 0.684 555 A C 0.093 177.370 177.584 -0.512 0.000 0.143 555 A CA 1.061 52.891 52.037 -0.346 0.000 0.046 555 A CB -1.561 17.407 19.000 -0.053 0.000 3.961 555 A HN 2.157 nan 8.150 nan 0.000 0.546 556 F N 1.528 121.309 119.950 -0.282 0.000 2.368 556 F HA 0.619 5.145 4.527 -0.001 0.000 0.315 556 F C 1.825 177.415 175.800 -0.350 0.000 1.145 556 F CA 0.016 57.753 58.000 -0.439 0.000 1.095 556 F CB 0.654 39.124 39.000 -0.884 0.000 1.286 556 F HN 0.503 nan 8.300 nan 0.000 0.530 557 I N -0.881 119.625 120.570 -0.107 0.000 3.526 557 I HA 0.013 4.182 4.170 -0.001 0.000 0.294 557 I C 0.446 176.486 176.117 -0.128 0.000 1.229 557 I CA 0.138 61.396 61.300 -0.069 0.000 1.408 557 I CB -0.090 37.937 38.000 0.044 0.000 1.127 557 I HN 0.513 nan 8.210 nan 0.000 0.439 558 E N 2.503 122.547 120.200 -0.260 0.000 2.585 558 E HA -0.138 4.212 4.350 -0.001 0.000 0.252 558 E C 0.604 177.101 176.600 -0.172 0.000 0.981 558 E CA 0.619 56.853 56.400 -0.276 0.000 0.943 558 E CB -0.038 29.346 29.700 -0.528 0.000 0.923 558 E HN 0.212 nan 8.360 nan 0.000 0.486 559 N N 2.938 121.607 118.700 -0.051 0.000 1.904 559 N HA -0.281 4.458 4.740 -0.001 0.000 0.217 559 N C 1.099 176.618 175.510 0.015 0.000 1.020 559 N CA 2.051 55.074 53.050 -0.045 0.000 3.606 559 N CB -1.243 37.022 38.487 -0.370 0.000 0.733 559 N HN 0.444 nan 8.380 nan 0.000 0.351 560 I N 1.422 121.996 120.570 0.007 0.000 2.179 560 I HA -0.052 4.117 4.170 -0.001 0.000 0.242 560 I C 2.087 178.222 176.117 0.030 0.000 1.088 560 I CA 2.047 63.383 61.300 0.060 0.000 1.357 560 I CB -1.901 36.142 38.000 0.072 0.000 1.051 560 I HN 0.540 nan 8.210 nan 0.000 0.409 561 G N 0.781 109.579 108.800 -0.004 0.000 2.645 561 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.246 561 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.246 561 G C -0.273 174.619 174.900 -0.013 0.000 1.322 561 G CA -0.028 45.058 45.100 -0.023 0.000 0.898 561 G HN 0.319 nan 8.290 nan 0.000 0.573 562 V N -0.057 119.842 119.914 -0.025 0.000 2.495 562 V HA 0.624 4.743 4.120 -0.001 0.000 0.298 562 V C -0.012 176.060 176.094 -0.036 0.000 1.031 562 V CA -1.135 61.150 62.300 -0.024 0.000 0.871 562 V CB 1.740 33.547 31.823 -0.027 0.000 0.988 562 V HN 0.712 nan 8.190 nan 0.000 0.432 563 E N 5.372 125.548 120.200 -0.040 0.000 2.331 563 E HA 0.374 4.723 4.350 -0.001 0.000 0.272 563 E C -2.380 174.171 176.600 -0.082 0.000 1.036 563 E CA -1.719 54.656 56.400 -0.042 0.000 0.864 563 E CB 1.673 31.356 29.700 -0.029 0.000 1.035 563 E HN 0.488 nan 8.360 nan 0.000 0.408 564 P HA 0.144 nan 4.420 nan 0.000 0.278 564 P C 0.528 177.782 177.300 -0.077 0.000 1.266 564 P CA -0.314 62.736 63.100 -0.084 0.000 0.807 564 P CB 1.056 32.748 31.700 -0.014 0.000 1.094 565 H N -0.207 118.869 119.070 0.010 0.000 2.326 565 H HA 0.075 4.630 4.556 -0.001 0.000 0.301 565 H C 0.613 175.943 175.328 0.003 0.000 1.081 565 H CA 1.346 57.396 56.048 0.004 0.000 1.334 565 H CB 0.084 29.847 29.762 0.003 0.000 1.385 565 H HN 0.202 nan 8.280 nan 0.000 0.504 566 I N 2.285 122.936 120.570 0.135 0.000 2.390 566 I HA 0.046 4.215 4.170 -0.001 0.000 0.283 566 I C -0.139 176.004 176.117 0.043 0.000 1.016 566 I CA -0.980 60.362 61.300 0.070 0.000 1.151 566 I CB 0.992 39.023 38.000 0.051 0.000 1.293 566 I HN 0.004 nan 8.210 nan 0.000 0.458 567 D N 7.397 127.815 120.400 0.031 0.000 2.346 567 D HA 0.182 4.821 4.640 -0.001 0.000 0.260 567 D C -0.514 175.799 176.300 0.022 0.000 1.252 567 D CA 0.303 54.314 54.000 0.019 0.000 0.895 567 D CB 0.600 41.408 40.800 0.013 0.000 1.097 567 D HN 0.408 nan 8.370 nan 0.000 0.489 568 L N 6.762 128.001 121.223 0.027 0.000 2.470 568 L HA 0.390 4.729 4.340 -0.001 0.000 0.253 568 L C -2.369 174.527 176.870 0.044 0.000 1.163 568 L CA -1.706 53.168 54.840 0.056 0.000 0.932 568 L CB 1.384 43.476 42.059 0.056 0.000 1.213 568 L HN 0.377 nan 8.230 nan 0.000 0.485 569 P HA 0.122 nan 4.420 nan 0.000 0.274 569 P C -0.680 176.614 177.300 -0.009 0.000 1.256 569 P CA -0.130 62.917 63.100 -0.089 0.000 0.795 569 P CB 0.698 32.385 31.700 -0.021 0.000 1.038 570 F N 0.100 120.103 119.950 0.088 0.000 2.438 570 F HA 0.171 4.697 4.527 -0.001 0.000 0.356 570 F C 1.825 177.620 175.800 -0.009 0.000 1.099 570 F CA -0.361 57.664 58.000 0.043 0.000 1.185 570 F CB 0.823 39.815 39.000 -0.013 0.000 1.115 570 F HN 0.262 nan 8.300 nan 0.000 0.526 571 T N -0.068 114.596 114.554 0.183 0.000 2.810 571 T HA 0.450 4.799 4.350 -0.001 0.000 0.277 571 T C 1.159 175.818 174.700 -0.070 0.000 0.973 571 T CA -0.346 61.785 62.100 0.051 0.000 0.949 571 T CB 1.510 70.405 68.868 0.045 0.000 1.075 571 T HN 0.627 nan 8.240 nan 0.000 0.537 572 A N 1.000 123.757 122.820 -0.106 0.000 1.972 572 A HA -0.068 4.251 4.320 -0.001 0.000 0.219 572 A C 2.112 179.455 177.584 -0.401 0.000 1.169 572 A CA 1.607 53.476 52.037 -0.279 0.000 0.635 572 A CB -1.265 17.637 19.000 -0.164 0.000 0.810 572 A HN 0.862 nan 8.150 nan 0.000 0.446 573 N N 0.701 119.268 118.700 -0.221 0.000 2.188 573 N HA -0.091 4.648 4.740 -0.001 0.000 0.184 573 N C 1.115 176.494 175.510 -0.218 0.000 1.018 573 N CA 1.411 54.354 53.050 -0.179 0.000 0.858 573 N CB -0.236 38.217 38.487 -0.056 0.000 0.989 573 N HN 0.443 nan 8.380 nan 0.000 0.426 574 D N 0.284 120.544 120.400 -0.234 0.000 2.097 574 D HA -0.063 4.576 4.640 -0.001 0.000 0.197 574 D C 1.751 177.539 176.300 -0.854 0.000 0.984 574 D CA 0.865 54.617 54.000 -0.413 0.000 0.826 574 D CB -0.123 40.511 40.800 -0.278 0.000 0.973 574 D HN 0.159 nan 8.370 nan 0.000 0.460 575 I N 0.786 120.924 120.570 -0.719 0.000 2.193 575 I HA -0.120 4.050 4.170 -0.001 0.000 0.240 575 I C 2.481 178.274 176.117 -0.541 0.000 1.084 575 I CA 0.613 61.513 61.300 -0.667 0.000 1.365 575 I CB -0.562 37.169 38.000 -0.448 0.000 1.064 575 I HN -0.134 nan 8.210 nan 0.000 0.410 576 R N 0.306 120.373 120.500 -0.723 0.000 2.196 576 R HA -0.272 4.067 4.340 -0.001 0.000 0.244 576 R C 1.444 177.300 176.300 -0.739 0.000 1.121 576 R CA 2.457 58.011 56.100 -0.911 0.000 0.930 576 R CB -0.539 29.003 30.300 -1.263 0.000 0.890 576 R HN 0.426 nan 8.270 nan 0.000 0.435 577 Y N -0.057 120.151 120.300 -0.152 0.000 2.607 577 Y HA 0.286 4.835 4.550 -0.001 0.000 0.266 577 Y C 0.011 175.911 175.900 -0.000 0.000 1.178 577 Y CA -0.486 57.584 58.100 -0.050 0.000 1.226 577 Y CB 0.558 38.997 38.460 -0.035 0.000 1.144 577 Y HN 0.074 nan 8.280 nan 0.000 0.528 578 K N -0.797 119.616 120.400 0.022 0.000 3.069 578 K HA -0.233 4.086 4.320 -0.001 0.000 0.267 578 K C 1.210 177.979 176.600 0.281 0.000 1.082 578 K CA 0.483 56.885 56.287 0.191 0.000 0.782 578 K CB -1.872 30.846 32.500 0.362 0.000 1.230 578 K HN 0.681 nan 8.250 nan 0.000 0.488 579 G N -0.335 108.534 108.800 0.116 0.000 2.545 579 G HA2 -0.053 3.906 3.960 -0.001 0.000 0.212 579 G HA3 -0.053 3.906 3.960 -0.001 0.000 0.212 579 G C 0.313 175.389 174.900 0.293 0.000 1.144 579 G CA 0.357 45.571 45.100 0.191 0.000 0.813 579 G HN 0.420 nan 8.290 nan 0.000 0.531 580 Y N 0.858 121.206 120.300 0.080 0.000 3.721 580 Y HA -0.305 4.244 4.550 -0.001 0.000 0.218 580 Y C 2.358 178.383 175.900 0.208 0.000 1.188 580 Y CA 0.365 58.554 58.100 0.148 0.000 1.607 580 Y CB -2.302 36.249 38.460 0.151 0.000 1.496 580 Y HN 0.375 nan 8.280 nan 0.000 0.626 581 S N -1.413 114.413 115.700 0.210 0.000 2.348 581 S HA -0.251 4.219 4.470 -0.001 0.000 0.221 581 S C 1.695 176.398 174.600 0.172 0.000 1.033 581 S CA 1.471 59.772 58.200 0.169 0.000 1.010 581 S CB -0.253 63.012 63.200 0.107 0.000 0.891 581 S HN 0.687 nan 8.310 nan 0.000 0.442 582 E N 0.173 120.471 120.200 0.164 0.000 2.058 582 E HA -0.153 4.197 4.350 -0.001 0.000 0.194 582 E C 1.948 178.674 176.600 0.210 0.000 0.997 582 E CA 1.505 57.997 56.400 0.153 0.000 0.801 582 E CB -0.353 29.427 29.700 0.134 0.000 0.746 582 E HN 0.689 nan 8.360 nan 0.000 0.450 583 Y N 1.238 121.664 120.300 0.210 0.000 2.070 583 Y HA -0.237 4.312 4.550 -0.001 0.000 0.280 583 Y C 1.971 178.013 175.900 0.236 0.000 1.148 583 Y CA 1.620 59.893 58.100 0.287 0.000 1.125 583 Y CB -0.279 38.508 38.460 0.544 0.000 0.975 583 Y HN -0.037 nan 8.280 nan 0.000 0.492 584 L N -0.211 121.189 121.223 0.295 0.000 2.131 584 L HA -0.229 4.111 4.340 -0.001 0.000 0.210 584 L C 2.169 179.066 176.870 0.045 0.000 1.092 584 L CA 1.383 56.307 54.840 0.141 0.000 0.759 584 L CB -0.608 41.579 42.059 0.213 0.000 0.903 584 L HN 0.258 nan 8.230 nan 0.000 0.435 585 D N 0.176 120.616 120.400 0.066 0.000 2.117 585 D HA -0.204 4.435 4.640 -0.001 0.000 0.197 585 D C 2.142 178.446 176.300 0.006 0.000 0.987 585 D CA 1.204 55.229 54.000 0.042 0.000 0.829 585 D CB 0.143 40.976 40.800 0.054 0.000 0.961 585 D HN 0.080 nan 8.370 nan 0.000 0.460 586 K N 0.686 121.071 120.400 -0.025 0.000 2.057 586 K HA -0.062 4.257 4.320 -0.001 0.000 0.206 586 K C 1.956 178.508 176.600 -0.081 0.000 1.050 586 K CA 0.676 56.933 56.287 -0.051 0.000 0.935 586 K CB -0.422 32.037 32.500 -0.068 0.000 0.715 586 K HN -0.066 nan 8.250 nan 0.000 0.439 587 V N 1.608 121.435 119.914 -0.145 0.000 2.295 587 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 587 V C 2.111 178.188 176.094 -0.028 0.000 1.049 587 V CA 1.982 64.214 62.300 -0.114 0.000 1.024 587 V CB -0.432 31.301 31.823 -0.149 0.000 0.648 587 V HN 0.339 nan 8.190 nan 0.000 0.447 588 K N 0.237 120.636 120.400 -0.002 0.000 2.097 588 K HA -0.241 4.078 4.320 -0.001 0.000 0.206 588 K C 2.244 178.857 176.600 0.022 0.000 1.049 588 K CA 1.565 57.868 56.287 0.027 0.000 0.933 588 K CB -0.235 32.291 32.500 0.043 0.000 0.717 588 K HN 0.406 nan 8.250 nan 0.000 0.442 589 K N 1.550 121.956 120.400 0.010 0.000 2.057 589 K HA -0.092 4.228 4.320 -0.001 0.000 0.206 589 K C 2.137 178.737 176.600 -0.001 0.000 1.050 589 K CA 0.845 57.138 56.287 0.010 0.000 0.935 589 K CB -0.035 32.469 32.500 0.007 0.000 0.715 589 K HN 0.031 nan 8.250 nan 0.000 0.439 590 L N 0.665 121.882 121.223 -0.011 0.000 2.083 590 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 590 L C 2.320 179.180 176.870 -0.015 0.000 1.083 590 L CA 0.736 55.567 54.840 -0.016 0.000 0.752 590 L CB -0.258 41.789 42.059 -0.020 0.000 0.899 590 L HN 0.044 nan 8.230 nan 0.000 0.433 591 V N -1.376 118.533 119.914 -0.007 0.000 2.453 591 V HA -0.277 3.842 4.120 -0.001 0.000 0.247 591 V C 2.562 178.635 176.094 -0.035 0.000 1.048 591 V CA 1.504 63.798 62.300 -0.010 0.000 1.049 591 V CB -0.320 31.509 31.823 0.010 0.000 0.672 591 V HN 0.543 nan 8.190 nan 0.000 0.457 592 C N -0.263 119.024 119.300 -0.021 0.000 2.413 592 C HA -0.224 4.235 4.460 -0.001 0.000 0.277 592 C C 2.871 177.818 174.990 -0.072 0.000 1.228 592 C CA 1.251 60.243 59.018 -0.042 0.000 1.731 592 C CB -1.079 26.675 27.740 0.022 0.000 2.042 592 C HN 0.597 nan 8.230 nan 0.000 0.468 593 Q N 0.066 119.842 119.800 -0.041 0.000 2.181 593 Q HA -0.144 4.196 4.340 -0.001 0.000 0.205 593 Q C 2.146 178.111 176.000 -0.058 0.000 0.980 593 Q CA 1.212 56.990 55.803 -0.042 0.000 0.862 593 Q CB -0.224 28.496 28.738 -0.029 0.000 0.905 593 Q HN 0.687 nan 8.270 nan 0.000 0.429 594 L N -0.315 120.872 121.223 -0.059 0.000 2.056 594 L HA -0.190 4.150 4.340 -0.001 0.000 0.207 594 L C 2.091 178.911 176.870 -0.082 0.000 1.078 594 L CA 0.731 55.535 54.840 -0.059 0.000 0.749 594 L CB -0.259 41.776 42.059 -0.040 0.000 0.901 594 L HN 0.235 nan 8.230 nan 0.000 0.433 595 I N 0.024 120.516 120.570 -0.129 0.000 2.163 595 I HA -0.266 3.903 4.170 -0.001 0.000 0.240 595 I C 2.152 178.166 176.117 -0.173 0.000 1.081 595 I CA 1.685 62.868 61.300 -0.195 0.000 1.353 595 I CB -0.531 37.222 38.000 -0.412 0.000 1.054 595 I HN 0.233 nan 8.210 nan 0.000 0.407 596 N N 0.332 118.934 118.700 -0.163 0.000 2.062 596 N HA -0.149 4.590 4.740 -0.001 0.000 0.191 596 N C 1.273 176.749 175.510 -0.057 0.000 1.042 596 N CA 1.396 54.391 53.050 -0.091 0.000 0.845 596 N CB -0.229 38.226 38.487 -0.054 0.000 1.024 596 N HN 0.304 nan 8.380 nan 0.000 0.424 597 N N 0.753 119.421 118.700 -0.053 0.000 2.515 597 N HA -0.001 4.739 4.740 -0.001 0.000 0.185 597 N C -1.182 174.301 175.510 -0.045 0.000 1.109 597 N CA 0.382 53.407 53.050 -0.041 0.000 0.903 597 N CB 0.110 38.574 38.487 -0.038 0.000 0.969 597 N HN 0.111 nan 8.380 nan 0.000 0.450 598 D N -0.277 120.090 120.400 -0.054 0.000 4.543 598 D HA 0.030 4.670 4.640 -0.001 0.000 0.236 598 D C 0.750 177.022 176.300 -0.048 0.000 1.047 598 D CA 1.366 55.335 54.000 -0.051 0.000 1.254 598 D CB -1.033 39.740 40.800 -0.044 0.000 0.762 598 D HN 0.487 nan 8.370 nan 0.000 0.381 599 G N 0.000 108.771 108.800 -0.049 0.000 5.446 599 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 599 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 599 G CA 0.000 45.068 45.100 -0.053 0.000 0.502 599 G HN 0.000 nan 8.290 nan 0.000 0.925